Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6897558

Cl.O=C(CCCN1CCC(c2csc3cc(F)ccc23)CC1)c1ccc(F)cc1

nearest known ligand 0.58

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 17)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 3/20 0.58
CHRM2 known ✓ P08172 1/20 0.56
HTR1A known ✓ P08908 1/20 0.56
ADRA2A known ✓ P08913 1/20 0.56
DRD1 known ✓ P21728 1/20 0.56
ADRA1A known ✓ P35348 1/20 0.56
OPRM1 known ✓ P35372 1/20 0.56
DRD3 known ✓ P35462 1/20 0.56
KCNH2 known ✓ Q12809 1/20 0.56
HRH3 known ✓ Q9Y5N1 1/20 0.56
HTR2A known ✓ P28223 2/20 0.49
HTR2C known ✓ P28335 1/20 0.48
DRD4 known ✓ P21917 1/20 0.48
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 1/20 0.53
CYP2D6 P10635 1/20 0.52

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
SCHEMBL6890795 0.79 DRD2 (0.41) DRD2CHRM2
SCHEMBL6890792 0.79 DRD2 (0.41) DRD2CHRM2
SCHEMBL8918702 0.77 MCHR1 (0.64) DRD2MEN1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL30658979 0.75 MEN1 (0.76) DRD2MEN1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL10895287 0.75 DRD2 (0.70) DRD2CHRM2HTR1AADRA2ADRD1
SCHEMBL6897748 0.74 DRD2 (0.42) DRD2HTR2ADRD4
Melperone SCHEMBL1649537 0.74 KMT2A (0.97) DRD2MEN1CHRM2HTR1AADRA2A
SCHEMBL20254428 0.74 MEN1 (0.78) DRD2MEN1CHRM2HTR1AADRA2A
SCHEMBL11238900 0.74 DRD2 (0.71) DRD2CHRM2HTR1AADRA2ADRD1
Hydrochloric Acid SCHEMBL11785189 0.74 DRD2 (0.64) DRD2MEN1CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806275-B2 PSYCHOLOGICAL DISORDERS; SIDE EFFECT REDUCTION NIHON NOHYAKU CO., LTD. (JP) 2004-10-19 US disclosed
US-20020156283-A1 Arylpiperidine derivatives and use thereof NIHON NOHYAKU CO., LTD. (JP) 2002-10-24 US disclosed
US-6407121-B1 DOPAMINE D4 RECEPTOR ANTAGONISTS; PSYCHOLOGICAL AND BRAIN DISORDERS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA; SIDE EFFECT REDUCTION NIHON NOHYAKU CO., LTD. (JP) 2002-06-18 US disclosed
EP-1070715-A1 ARYLPIPERIDINE DERIVATIVES AND USE THEREOF Nihon Nohyaku Co., Ltd. (JP) 2001-01-24 EP 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 (1 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-20020156283-A1 Arylpiperidine derivatives and use thereof DRD1, DRD4, DRD2 DRD2 3/4885CHRM2 153/4885HTR1A 10/4885

“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.