Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1065299

CCOC(=O)OCCN(C)C(=O)OCCNC.Cl

nearest known ligand 0.39

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
CHRM2 known ✓ P08172 1/20 0.36
CHRM4 known ✓ P08173 1/20 0.36
CHRM5 known ✓ P08912 1/20 0.36
CHRM1 known ✓ P11229 1/20 0.36
CHRM3 known ✓ P20309 1/20 0.36
CHRNB4 known ✓ P30926 1/20 0.35
CHRNA3 known ✓ P32297 1/20 0.35
ALDH1A1 P00352 1/20 0.39
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
SOAT1 P35610 1/20 0.33

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
SCHEMBL13041267 0.98 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL1062918 0.84 ALDH1A1 (0.52) ALDH1A1CHRNB2CHRNA4CHRM2CHRM4
Hydrochloric Acid SCHEMBL1066975 0.83 ALDH1A1 (0.56) ALDH1A1SOAT1
Hydrochloric Acid SCHEMBL19924684 0.82 CHRNB2 (0.39) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12933443 0.82 ALDH1A1 (0.59) ALDH1A1SOAT1
SCHEMBL19945783 0.80 CHRNB2 (0.40) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL19924643 0.80 CHRNB2 (0.37) ALDH1A1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL12933446 0.78 CYP1A2 (0.41) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19945790 0.78 CHRNB2 (0.38) ALDH1A1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL19927699 0.77 PRMT3 (0.39) ALDH1A1CHRNB2CHRNA4CHRM2CHRM4

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-2277510-B1 Controlled release preparation TAKEDA PHARMACEUTICALS CO (JP) 2018-12-26 EP disclosed
EP-1602362-B1 DRUG COMPOSITION HAVING ACTIVE INGREDIENT ADHERED AT HIGH CONCENTRATION TO SPHERICAL CORE TAKEDA PHARMACEUTICAL (JP) 2016-09-28 EP disclosed
US-20160128945-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2016-05-12 US disclosed
US-8980322-B2 Controlled release composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8784885-B2 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20140186448-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2014-07-03 US disclosed
US-20140186449-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2014-07-03 US disclosed
US-8722084-B2 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-8449911-B2 Drug composition having active ingredient adhered at high concentration to spherical core TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 US disclosed
EP-1553929-B1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2013-03-27 EP disclosed
US-20100272798-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-7790755-B2 dexlansoprazole FDA Orange book listed patent; capsules with pH dependently soluble polymers such as methyl methacrylate-methacrylic acid copolymers or cellulose esters TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
EP-1513527-B1 PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS TAKEDA PHARMACEUTICAL (JP) 2009-07-29 EP disclosed
US-7410981-B2 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-12 US disclosed
US-20060177509-A1 Controlled release composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-10 US disclosed
US-20060159760-A1 Drug composition having active ingredient adhered at high concentration to spherical core AOYAMA & PARTNERS 2006-07-20 US disclosed
US-20060013868-A1 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-19 US disclosed
EP-1607088-A1 CONTROLLED RELEASE COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2005-12-21 EP disclosed
EP-1602362-A1 DRUG COMPOSITION HAVING ACTIVE INGREDIENT ADHERED AT HIGH CONCENTRATION TO SPHERICAL CORE Takeda Pharmaceutical Company Limited (JP) 2005-12-07 EP disclosed
US-20050222210-A1 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-06 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 (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-20050222210-A1 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers SI, VIP, PGC CHRM2 3271/4885CHRM4 3625/4885CHRM5 3115/4885
US-20100272798-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG CHRM2 2054/4885CHRM4 2164/4885CHRM5 1287/4885
US-20160128945-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG CHRM2 2054/4885CHRM4 2164/4885CHRM5 1287/4885
US-20060159760-A1 Drug composition having active ingredient adhered at high concentration to spherical core SLC18A1, MAST1, ABCG2 CHRM2 507/4885CHRM4 1697/4885CHRM5 501/4885
US-20060013868-A1 Controlled release preparation SLC18A1, MLN, GCG CHRM2 2054/4885CHRM4 2164/4885CHRM5 1287/4885
US-20140186449-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG CHRM2 2054/4885CHRM4 2164/4885CHRM5 1287/4885
US-20140186448-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG CHRM2 2054/4885CHRM4 2164/4885CHRM5 1287/4885
US-20060177509-A1 Controlled release composition ATP6AP1, NSF, ATP6V1G1 CHRM2 1564/4885CHRM4 2510/4885CHRM5 1702/4885

“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.