Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1035730

Cl.c1ccc2cc(OCCCN3CCN(c4cccc5sccc45)CC3)ncc2c1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 known ✓ P35462 3/20 0.61
KCNH2 known ✓ Q12809 2/20 0.61
DRD2 known ✓ P14416 3/20 0.56
HTR1A known ✓ P08908 2/20 0.56
HTR2A known ✓ P28223 2/20 0.56
ADRB2 known ✓ P07550 1/20 0.56
ADRB1 known ✓ P08588 1/20 0.56
ADRA2A known ✓ P08913 1/20 0.56
ADRA2B known ✓ P18089 1/20 0.56
ADRA2C known ✓ P18825 1/20 0.56
DRD1 known ✓ P21728 1/20 0.56
DRD4 known ✓ P21917 1/20 0.56
SLC6A2 known ✓ P23975 1/20 0.56
ADRA1D known ✓ P25100 1/20 0.56
HTR1D known ✓ P28221 1/20 0.56
HTR1B known ✓ P28222 1/20 0.56
HTR2C known ✓ P28335 1/20 0.56
HTR1E known ✓ P28566 1/20 0.56
SLC6A4 known ✓ P31645 1/20 0.56
HTR7 known ✓ P34969 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28709090 0.80 HTR1A (0.64) DRD3DRD2HTR1AHTR2AADRB2
Hydrochloric Acid SCHEMBL29046770 0.79 DRD2 (0.61) DRD2
Hydrochloric Acid SCHEMBL30610368 0.79 DRD2 (0.61) DRD2
SCHEMBL29433200 0.78 HTR1A (0.68) DRD3DRD2HTR1AHTR2AADRB2
SCHEMBL19549054 0.78 HTR1A (0.68) DRD3DRD2HTR1AHTR2AADRB2
SCHEMBL29433199 0.78 DRD2 (0.75) KCNH2DRD2HTR1AHTR2AHTR2C
SCHEMBL28495089 0.78 DRD2 (0.64) DRD3DRD2HTR1AHTR2AADRB2
SCHEMBL10276526 0.78 DRD2 (0.61) KCNH2DRD2HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL1038736 0.77 DRD2 (0.53) DRD2HTR1AHTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL1037712 0.76 HTR1A (0.56) DRD2HTR1AHTR2AHTR2CADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-22 US disclosed
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-07-30 US disclosed
US-RE48059-E1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-06-23 US disclosed
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US disclosed
US-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-04-25 US disclosed
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-02 US disclosed
US-20170368060-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-12-28 US disclosed
US-9839637-B1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-12-12 US disclosed
US-20170231983-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-17 US disclosed
US-20170000786-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-01-05 US disclosed
US-20160051548-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-02-25 US disclosed
US-9206167-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20140163039-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-12 US disclosed
US-8618109-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PARMACEUTICAL CO., LTD. (JP) 2013-12-31 US disclosed
US-20130158044-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-06-20 US disclosed
US-8349840-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-08 US disclosed
US-20110152286-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2011-06-23 US disclosed
US-7888362-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-15 US disclosed
EP-1869025-B1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMA CO LTD (JP) 2011-01-26 EP disclosed
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170368060-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885
US-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885
US-20140163039-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885
US-20130158044-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885
US-20170000786-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885
US-20170231983-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885
US-20160051548-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885
US-20110152286-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD3 154/4885KCNH2 1515/4885DRD2 126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.