Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1476773

Cl.Fc1ccc(OCC2CCNCC2)cc1

nearest known ligand 0.71

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
SLC6A2 known ✓ P23975 3/20 0.58
SLC6A4 known ✓ P31645 3/20 0.58
HTR3A known ✓ P46098 2/20 0.58
KCNH2 known ✓ Q12809 2/20 0.58
SLC6A3 known ✓ Q01959 2/20 0.57
TDP1 Q9NUW8 1/20 0.71
KDM1A O60341 1/20 0.55
LTA4H P09960 1/20 0.50

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
SCHEMBL1475391 0.98 TDP1 (0.68) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL24180195 0.85 PARP15 (0.55) LTA4H
SCHEMBL2231076 0.84 SLC6A2 (0.57) TDP1SLC6A2SLC6A4HTR3AKCNH2
Hydrochloric Acid SCHEMBL4139630 0.83 TDP1 (0.50) TDP1SLC6A2SLC6A4SLC6A3
Tert-Butyl Formate SCHEMBL28798304 0.83 TDP1 (0.55) TDP1SLC6A2SLC6A4HTR3AKCNH2
Hydrochloric Acid SCHEMBL15538089 0.83 TDP1 (0.71) TDP1SLC6A2SLC6A4HTR3AKCNH2
Hydrochloric Acid SCHEMBL1475614 0.82 TDP1 (0.70) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL25727749 0.82 PARP15 (0.57) LTA4H
SCHEMBL4329812 0.81 ITGB3 (0.49) TDP1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1768943 0.81 MAP2K1 (0.52) TDP1SLC6A2SLC6A4SLC6A3KDM1A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742047-B1 ANTIBACTERIAL PIPERIDINYL SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-05-12 EP disclosed
US-9598407-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2017-03-21 US disclosed
US-9321769-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2016-04-26 US disclosed
US-20150232466-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2015-08-20 US disclosed
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2015-06-11 US disclosed
US-9051321-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2015-06-09 US disclosed
US-9012634-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN R&D IRELAND (IE) 2015-04-21 US disclosed
US-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2014-12-04 US disclosed
US-8846711-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2014-09-30 US disclosed
EP-2501693-B1 AZA HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS BACTERICIDES FAB PHARMA SAS (FR) 2014-09-17 EP disclosed
EP-2501693-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB Pharma SAS (FR) 2012-09-26 EP disclosed
WO-2011061214-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA SAS (FR) 2011-05-26 WO disclosed
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 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 (6 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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SLC6A2 1216/4885SLC6A4 826/4885HTR3A 1189/4885
US-20150232466-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS SLC6A2 2836/4885SLC6A4 920/4885HTR3A 428/4885
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones NQO2, ALPI, ECI1 SLC6A2 4728/4885SLC6A4 4717/4885HTR3A 4494/4885
US-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS SLC6A2 2836/4885SLC6A4 920/4885HTR3A 428/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 SLC6A2 1196/4885SLC6A4 789/4885HTR3A 1639/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SLC6A2 1216/4885SLC6A4 826/4885HTR3A 1189/4885

“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.