Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7477971

CCCC(NC(=O)c1ccc2sc3ccccc3c2c1)N1CCN(c2cccc3ccccc23)CC1.Cl

nearest known ligand 0.42

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 8)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 6/20 0.42
DRD3 known ✓ P35462 6/20 0.42
DRD4 known ✓ P21917 3/20 0.41
HTR1A known ✓ P08908 7/20 0.40
HTR2A known ✓ P28223 3/20 0.40
HTR2C known ✓ P28335 3/20 0.40
DRD1 known ✓ P21728 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7422472 0.99 DRD2 (0.43) DRD2DRD3DRD4HTR1AHTR2A
Hydrochloric Acid SCHEMBL7650535 0.90 MAPT (0.39) DRD2DRD3CYP1A2
Hydrochloric Acid SCHEMBL7481005 0.90 DRD2 (0.39) DRD2DRD3DRD4HTR1AHTR2A
Hydrochloric Acid SCHEMBL7655743 0.90 TP53 (0.42) DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL7651933 0.89 HTR1A (0.43) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL7476712 0.89 DRD2 (0.40) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL7475928 0.89 MAPT (0.39) DRD2DRD3CYP1A2
Hydrochloric Acid SCHEMBL7648782 0.89 DRD2 (0.42) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL7988073 0.89 TP53 (0.43) DRD2DRD3
SCHEMBL7831011 0.88 HTR1A (0.44) DRD2DRD3HTR1AHTR2AHTR2C

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
US-20010044461-A1 Novel N-aminoalkyldibenzothiopencarboxamide receptor subtype specific ligands YUAN JUN (US) 2001-11-22 US claimed
US-6429312-B2 SELECTIVE DOPAMINE D3 ANTAGONISTS FREE FROM NEUROLOGICAL SIDE EFFECTS OF CONVENTIONAL NEUROLEPTICS NEUROGEN CORPORATION 2002-08-06 US disclosed
US-20010044461-A1 Novel N-aminoalkyldibenzothiopencarboxamide receptor subtype specific ligands YUAN JUN (US) 2001-11-22 US disclosed
US-6221869-B1 N-aminoalkyldibenzothiophenecarboxamides new dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2001-04-24 US disclosed
US-6040459-A USEFUL FOR TREATING DISORDERS SUCH AS SCHIZOPHRENIA, DEPRESSION, ALZHEIMER'S DISEASE, MOVEMENT DISORDERS SUCH AS PARKINSONISM AND DYSTONIA NEUROGEN CORPORATION (US) 2000-03-21 US disclosed
EP-0888332-A1 N-AMINOALKYLDIBENZOTHIOPHENECARBOXAMIDES; DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-07 EP disclosed
WO-1997034889-A1 N-AMINOALKYLDIBENZOTHIOPHENECARBOXAMIDES; DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1997-09-25 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 (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-20010044461-A1 Novel N-aminoalkyldibenzothiopencarboxamide receptor subtype specific ligands CNR1, GLRA1, SIGMAR1 DRD2 51/4885DRD3 96/4885DRD4 129/4885

“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.