Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2308729

COc1cc2c3c(c1OC)CCC3N(CCCCNS(=O)(=O)c1cccc(C)c1)CC2.Cl

nearest known ligand 0.44

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 11)

geneUniProtsupporting neighboursconfidence
HTR7 known ✓ P34969 12/20 0.41
DRD2 known ✓ P14416 11/20 0.41
HTR6 known ✓ P50406 8/20 0.41
HTR2A known ✓ P28223 7/20 0.41
HTR1A known ✓ P08908 6/20 0.41
SLC6A4 known ✓ P31645 3/20 0.41
HTR2B known ✓ P41595 1/20 0.41
KCNH2 known ✓ Q12809 1/20 0.41
ADRA2A known ✓ P08913 3/20 0.40
NPY5R Q15761 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL13482115 0.99 HTR7 (0.42) HTR7DRD2HTR6HTR2AHTR1A
Hydrochloric Acid SCHEMBL2307103 0.98 HTR7 (0.41) HTR7DRD2HTR6HTR2AHTR1A
SCHEMBL13482143 0.97 HTR7 (0.41) HTR7DRD2HTR6HTR2AHTR1A
Hydrochloric Acid SCHEMBL2309173 0.92 HTR7 (0.45) HTR7DRD2HTR6HTR2AHTR1A
Hydrochloric Acid SCHEMBL2306339 0.91 HTR1A (0.49) HTR7DRD2HTR2AHTR1ASLC6A4
SCHEMBL13482105 0.91 HTR7 (0.46) HTR7DRD2HTR6HTR2AHTR1A
SCHEMBL13482244 0.90 HTR1A (0.49) HTR7DRD2HTR2AHTR1ASLC6A4
Hydrochloric Acid SCHEMBL3184930 0.89 HTR7 (0.44) HTR7DRD2HTR6HTR2AHTR1A
SCHEMBL13482132 0.88 HTR7 (0.45) HTR7DRD2HTR6HTR2AHTR1A
Hydrochloric Acid SCHEMBL2309184 0.85 DRD2 (0.43) HTR7DRD2HTR6HTR2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836172-B1 5-HT7 RECEPTOR ANTAGONISTS ESTEVE LABOR DR (ES) 2011-08-03 EP disclosed
US-7662862-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-16 US disclosed
US-20090264458-A1 5-HT7 RECEPTOR ANTAGONISTS JOVER ANTONI TORRENS 2009-10-22 US disclosed
US-7553965-B2 Central nervous system disorders; compounds are 3-sulfonamidoalkyl 2,2a,4,5-tetrahydro-1H-3-aza-acenaphthylenes LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2009-06-30 US disclosed
US-20090036480-A1 5-Ht7 Receptor Antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-02-05 US disclosed
US-20060142321-A1 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-06-29 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 (3 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-20090264458-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2B HTR7 1/4885DRD2 98/4885HTR6 9/4885
US-20090036480-A1 5-Ht7 Receptor Antagonists HTR7, HTR1A, HTR2B HTR7 1/4885DRD2 107/4885HTR6 7/4885
US-20060142321-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR2B HTR7 1/4885DRD2 105/4885HTR6 7/4885

“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.