Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1582597

Cl.Fc1cc(F)cc(-c2cncc(CNCCOc3cccc4[nH]ccc34)c2)c1

nearest known ligand 0.59

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 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 known ✓ P14416 3/20 0.59
▸ DRD4 known ✓ P21917 3/20 0.59
▸ DRD3 known ✓ P35462 3/20 0.59
▸ HTR1A known ✓ P08908 9/20 0.49
▸ SLC6A4 known ✓ P31645 4/20 0.49
▸ HTR1B known ✓ P28222 1/20 0.45
▸ ADRB2 known ✓ P07550 1/20 0.43
▸ ADRA1D known ✓ P25100 1/20 0.39
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL1582977 0.99 DRD2 (0.60) DRD2DRD4DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL1582510 0.93 DRD2 (0.58) DRD2DRD4DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL1582642 0.93 DRD2 (0.60) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL1582888 0.92 DRD2 (0.59) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL1582251 0.92 DRD2 (0.61) DRD2DRD4DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL1582700 0.91 DRD2 (0.58) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL1582640 0.90 DRD2 (0.59) DRD2DRD4DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL1582607 0.89 DRD2 (0.69) DRD2DRD4DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL1582818 0.89 DRD2 (0.57) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL1582569 0.88 DRD2 (0.70) DRD2DRD4DRD3HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292592-B1 HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS MERCK PATENT GMBH (DE) 2011-04-20 — — EP claimed
US-6960599-B2 Heterocyclic aminoalkylpyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2005-11-01 — — US claimed
US-20040019044-A1 Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2004-01-29 — — US claimed
EP-1292592-B1 HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS MERCK PATENT GMBH (DE) 2011-04-20 — — EP disclosed
US-6960599-B2 Heterocyclic aminoalkylpyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2005-11-01 — — 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 (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-20040019044-A1 Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals HTR4, CNR1, CNR2 DRD2 56/4885DRD4 34/4885DRD3 123/4885

“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.

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