Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7679240

Cl.O=C(O)CCN1CCC(=C2c3ccccc3CSc3ccccc32)CC1

nearest known ligand 0.56

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 5/20 0.44
CHRM2 known ✓ P08172 3/20 0.44
ADRA2A known ✓ P08913 3/20 0.44
CHRM1 known ✓ P11229 3/20 0.44
DRD1 known ✓ P21728 3/20 0.44
ADRA1A known ✓ P35348 2/20 0.44
KCNH2 known ✓ Q12809 2/20 0.44
HTR1A known ✓ P08908 1/20 0.44
SLC6A2 known ✓ P23975 1/20 0.44
SLC6A4 known ✓ P31645 1/20 0.44
OPRM1 known ✓ P35372 1/20 0.44
SLC6A3 known ✓ Q01959 1/20 0.44
DRD2 known ✓ P14416 2/20 0.41
CHRM4 known ✓ P08173 2/20 0.40
CHRM5 known ✓ P08912 2/20 0.40
ADRA2B known ✓ P18089 2/20 0.40
CHRM3 known ✓ P20309 2/20 0.40
HTR2A known ✓ P28223 2/20 0.40
HTR2C known ✓ P28335 2/20 0.40
HRH1 known ✓ P35367 2/20 0.40

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
SCHEMBL7682329 0.99 FNTA (0.57) FNTAFNTBCYP3A4HTTDRD3
Hydrochloric Acid SCHEMBL9844228 0.93 FNTA (0.54) FNTAFNTBCYP3A4HTTDRD3
Hydrochloric Acid SCHEMBL9844374 0.92 FNTA (0.53) FNTAFNTBCYP3A4HTTDRD3
SCHEMBL7676763 0.92 FNTA (0.55) FNTAFNTBCYP3A4HTTDRD3
Hydrochloric Acid SCHEMBL9844220 0.91 FNTA (0.52) FNTAFNTBCYP3A4HTTDRD3
Hydrochloric Acid SCHEMBL9844527 0.91 FNTA (0.52) FNTAFNTBCYP3A4HTTDRD3
Hydrochloric Acid SCHEMBL9844268 0.91 FNTA (0.52) FNTAFNTBCYP3A4HTTDRD3
SCHEMBL9844279 0.91 FNTA (0.54) FNTAFNTBCYP3A4HTTDRD3
SCHEMBL9844251 0.90 FNTA (0.53) FNTAFNTBCYP3A4HTTDRD3
SCHEMBL9844384 0.90 FNTA (0.53) FNTAFNTBCYP3A4HTTDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4001193-A None JP disclosed
US-20020151539-A1 Novel heterocyclic compounds JORGENSEN TINE KROGH (DK) 2002-10-17 US disclosed
US-6391890-B1 ANALGESICS, ANTIINFLAMMATORY AGENTS, NON-INSULIN DEPENDENT DIABETES NOVO NORDISK A/S (DK) 2002-05-21 US disclosed
US-6054458-A Heterocyclic compounds NOVONORDISKALS (DK) 2000-04-25 US disclosed
EP-0991633-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-04-12 EP disclosed
WO-1999000376-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-01-07 WO disclosed
JP-H041193-A PIPERIDINE DERIVATIVE HOKURIKU SEIYAKU CO LTD 1992-01-06 JP disclosed
EP-0451772-A1 Piperidine compounds, method for preparation thereof, and a pharamceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-10-16 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-20020151539-A1 Novel heterocyclic compounds IAPP, GPR119, NPY1R DRD3 1033/4885CHRM2 80/4885ADRA2A 468/4885

“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.