Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1114474

COc1ccccc1N1CCN(CCCCOc2cccc(Cn3cnnn3)c2)CC1.Cl

nearest known ligand 0.66

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 15)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 2/20 0.65
DRD2 known ✓ P14416 5/20 0.59
DRD3 known ✓ P35462 3/20 0.59
DRD4 known ✓ P21917 2/20 0.59
SLC6A2 known ✓ P23975 2/20 0.59
SLC6A4 known ✓ P31645 2/20 0.59
ADRA1A known ✓ P35348 1/20 0.58
DRD1 known ✓ P21728 1/20 0.55
HTR2A known ✓ P28223 1/20 0.55
ABCB1 P08183 3/20 0.59
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 1/20 0.55
NLRP1 Q9C000 1/20 0.55

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
SCHEMBL1114877 0.99 HTR1A (0.66) HTR1ADRD2DRD3DRD4ABCB1
SCHEMBL1114943 0.89 LMNA (0.64) HTR1ADRD2DRD3DRD4SLC6A2
SCHEMBL1114814 0.87 HTR1A (0.66) HTR1ADRD2DRD3DRD4ABCB1
Hydrochloric Acid SCHEMBL1114721 0.86 HTR1A (0.65) HTR1ADRD2DRD3DRD4ABCB1
SCHEMBL1114848 0.85 HTR1A (0.66) HTR1ADRD2DRD3DRD4ABCB1
Hydrochloric Acid SCHEMBL1114520 0.84 HTR1A (0.65) HTR1ADRD2DRD3DRD4ABCB1
SCHEMBL1114558 0.83 HTR1A (0.66) HTR1ADRD2DRD3DRD4ABCB1
SCHEMBL1114603 0.83 LMNA (0.63) HTR1ADRD2DRD3DRD4SLC6A2
SCHEMBL1114682 0.83 HTR1A (0.70) HTR1ADRD2DRD3DRD4ABCB1
Hydrochloric Acid SCHEMBL1114690 0.82 HTR1A (0.65) HTR1ADRD2DRD3DRD4ABCB1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279179-B1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2014-09-17 EP claimed
US-8772299-B2 Phenyl piperazine compounds, pharmaceutical composition including the same and use thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-07-08 US claimed
US-7985752-B2 Phenyl piperazine compounds, pharmaceutical composition including the same and use thereof SK HOLDINGS CO., LTD. (KR) 2011-07-26 US claimed
US-20110118264-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-05-19 US claimed
EP-2279179-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK Holdings Co., Ltd. (KR) 2011-02-02 EP claimed
US-20090298831-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-12-03 US claimed
WO-2009145591-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2009-12-03 WO claimed
EP-2279179-B1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2014-09-17 EP disclosed
US-8772299-B2 Phenyl piperazine compounds, pharmaceutical composition including the same and use thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-07-08 US disclosed
US-7985752-B2 Phenyl piperazine compounds, pharmaceutical composition including the same and use thereof SK HOLDINGS CO., LTD. (KR) 2011-07-26 US disclosed
US-20110118264-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-05-19 US disclosed
EP-2279179-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK Holdings Co., Ltd. (KR) 2011-02-02 EP disclosed
US-20090298831-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-12-03 US disclosed
WO-2009145591-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2009-12-03 WO 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 (2 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-20090298831-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AND USE THEREOF HTR5A, HTR1A, HTR2A HTR1A 2/4885DRD2 62/4885DRD3 148/4885
US-20110118264-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AND USE THEREOF HTR5A, HTR1A, HTR2A HTR1A 2/4885DRD2 60/4885DRD3 147/4885

“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.