Hydrochloric Acid

Hydrochloric Acid

SCHEMBL339102

Cl.NC/C=C1\CCc2ccc3c(c21)CCO3

nearest known ligand 0.38

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 5)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 12/20 0.36
HTR2A known ✓ P28223 9/20 0.36
HTR2B known ✓ P41595 7/20 0.36
MTNR1B P49286 6/20 0.38
MTNR1A P48039 5/20 0.38

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
Hydrochloric Acid SCHEMBL339103 1.00 MTNR1B (0.38) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL4688545 0.98 MTNR1B (0.39) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL338470 0.98 MTNR1B (0.39) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL338471 0.98 MTNR1B (0.39) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL805876 0.82 MTNR1A (0.41) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL14327017 0.80 MTNR1A (0.42) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL1646076 0.80 MTNR1B (0.39) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL12394472 0.79 MTNR1A (0.40) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL803827 0.78 MTNR1A (0.41) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL1516337 0.75 MTNR1B (0.36) MTNR1BMTNR1AHTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10098866-B2 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-16 US disclosed
US-20170020841-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE TAKEDA PHARMACEUTICALS CO (JP) 2017-01-26 US disclosed
EP-1792899-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-07-09 EP disclosed
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-8609871-B2 Process for production of optically active amine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-17 US disclosed
US-20130079397-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed
EP-2537842-A1 Crystals of (S)-N-[2-(2,6,7,8-Tetrahydro-1H-indeno[5,4-b]furan-8-yl)ethyl]propionamide Takeda Pharmaceutical Company Limited (JP) 2012-12-26 EP disclosed
US-20120088826-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 US disclosed
US-8097737-B2 Process for production of optically active amine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-17 US disclosed
EP-2305219-A1 Pharmaceutical preparations coated with a copolyvidone-containing coating Takeda Pharmaceutical Company Limited (JP) 2011-04-06 EP disclosed
WO-2011027319-A1 PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR RAMELTEON RANBAXY LABORATORIES LIMITED (IN) 2011-03-10 WO disclosed
WO-2011027323-A1 PROCESS FOR THE PREPARATION OF RAMELTEON RANBAXY LABORATORIES LIMITED (IN) 2011-03-10 WO disclosed
US-20090274733-A1 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2009-11-05 US disclosed
US-20090036521-A1 Process for Production of Optically Active Amine Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-05 US disclosed
EP-1792899-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2007-06-06 EP disclosed
US-20040018239-A1 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-01-29 US disclosed
EP-1334732-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE Takeda Chemical Industries, Ltd. (JP) 2003-08-13 EP 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 (8 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-20170020841-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE PRCP, COPS6, COPS5 HTR2C 2600/4885HTR2A 3093/4885HTR2B 2920/4885
US-20090274733-A1 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 HTR2C 2600/4885HTR2A 3093/4885HTR2B 2920/4885
US-20040018239-A1 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 HTR2C 2600/4885HTR2A 3093/4885HTR2B 2920/4885
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT HTR2C 54/4885HTR2A 26/4885HTR2B 46/4885
US-10098866-B2 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 HTR2C 2600/4885HTR2A 3093/4885HTR2B 2920/4885
US-20090036521-A1 Process for Production of Optically Active Amine Derivatives INMT, TYR, PNMT HTR2C 54/4885HTR2A 26/4885HTR2B 46/4885
US-20120088826-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT HTR2C 54/4885HTR2A 26/4885HTR2B 46/4885
US-20130079397-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT HTR2C 54/4885HTR2A 26/4885HTR2B 46/4885

“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.