Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1582377

Cl.Fc1ccc(-c2cncc(CNCCOc3cccc4cc[nH]c34)c2)cc1

nearest known ligand 0.40

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 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D known ✓ P25100 1/20 0.40
▸ DRD2 known ✓ P14416 6/20 0.40
▸ DRD4 known ✓ P21917 6/20 0.40
▸ DRD3 known ✓ P35462 6/20 0.40
▸ HTR1A known ✓ P08908 4/20 0.40
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35

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
SCHEMBL1583166 0.99 DRD2 (0.40) ADRA1DDRD2DRD4DRD3HTR1A
Hydrochloric Acid SCHEMBL1582681 0.92 ADRA1D (0.41) ADRA1DDRD2DRD4DRD3HTR1A
SCHEMBL12720973 0.91 HTR1A (0.39) ADRA1DDRD2DRD4DRD3HTR1A
Hydrochloric Acid SCHEMBL1582892 0.89 ADRA1D (0.40) ADRA1DDRD2DRD4DRD3HTR1A
SCHEMBL1582770 0.88 KCNH2 (0.40) ADRA1DDRD2DRD4DRD3HTR1A
Hydrochloric Acid SCHEMBL1582642 0.84 DRD2 (0.60) ADRA1DDRD2DRD4DRD3HTR1A
SCHEMBL1582251 0.83 DRD2 (0.61) DRD2DRD4DRD3HTR1A
SCHEMBL7394277 0.83 HTR1B (0.49) ADRA1DDRD2DRD4DRD3HTR1A
Hydrochloric Acid SCHEMBL1582269 0.82 GLRA3 (0.50) ADRA1DDRD2DRD4DRD3HTR1A
Hydrochloric Acid SCHEMBL1582253 0.82 GLRA3 (0.50) ADRA1DDRD2DRD4DRD3HTR1A

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 7 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-A1 HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS MERCK PATENT GmbH (DE) 2003-03-19 — — EP claimed
WO-2001098293-A1 HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS MERCK PATENT GMBH (DE) 2001-12-27 — — WO 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 ADRA1D 108/4885DRD2 56/4885DRD4 34/4885

“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.

Send feedback