Hydrochloric Acid

Hydrochloric Acid

SCHEMBL194018

COc1ccc2c(c1)CN(C(=O)CCN1CCC(Cc3ccccc3)CC1)CCS2.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 2)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 1/20 1.00
RYR2 Q92736 17/20 0.83

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
SCHEMBL192924 0.99 KCNH2 (0.98) KCNH2RYR2
Fumaric Acid SCHEMBL30481063 0.95 KCNH2 (0.91) KCNH2RYR2
SCHEMBL6867808 0.91 RYR2 (0.86) KCNH2RYR2
SCHEMBL13145783 0.91 RYR2 (0.86) KCNH2RYR2
SCHEMBL22803651 0.91 KCNH2 (0.84) KCNH2RYR2
SCHEMBL6866897 0.91 RYR2 (1.00) KCNH2RYR2
SCHEMBL8252834 0.89 KCNH2 (0.79) KCNH2RYR2
SCHEMBL2600723 0.89 KCNH2 (0.79) KCNH2RYR2
SCHEMBL13632685 0.88 KCNH2 (0.78) KCNH2RYR2
SCHEMBL8247295 0.87 KCNH2 (0.76) KCNH2RYR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844803-B2 Renal dysfunction improving drug comprising optical isomer of 1,4-benzothiazepine-1-oxide derivative AETAS PHARMA CO., LTD. (JP) 2023-12-19 US disclosed
EP-3725315-B1 RENAL DYSFUNCTION IMPROVING DRUG COMPRISING OPTICAL ISOMER OF 1,4-BENZOTHIAZEPINE-1-OXIDE DERIVATIVE AETAS PHARMA CO LTD (JP) 2023-10-04 EP disclosed
US-20200390782-A1 RENAL DYSFUNCTION IMPROVING DRUG COMPRISING OPTICAL ISOMER OF 1,4-BENZOTHIAZEPINE-1-OXIDE DERIVATIVE AETAS PHARMA CO., LTD. (JP) 2020-12-17 US disclosed
EP-3725315-A1 RENAL DYSFUNCTION IMPROVING DRUG COMPRISING OPTICAL ISOMER OF 1,4-BENZOTHIAZEPINE-1-OXIDE DERIVATIVE Aetas Pharma Co. Ltd. (JP) 2020-10-21 EP disclosed
US-9340533-B2 1,4-benzothiazepine-1-oxide derivative and pharmaceutical composition utilizing the same Noboru, Kaneko (JP) 2016-05-17 US disclosed
EP-2764867-A1 Agents for preventing and treating disorders Involving modulation of the RYR receptors The Trustees of Columbia University in the City of New York (US) 2014-08-13 EP disclosed
US-20140135313-A1 1,4-BENZOTHIAZEPINE-1-OXIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION UTILIZING THE SAME KANEKO, Noburo (JP) 2014-05-15 US disclosed
US-8642586-B2 1,4-benzothiazepine-1-oxide derivative and pharmaceutical composition utilizing the same Kaneko, Noboru (JP) 2014-02-04 US disclosed
EP-2402333-B1 1,4-BENZOTHIAZEPINE-1-OXIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION UTILIZING THE SAME KANEKO NOBORU (JP) 2013-06-26 EP disclosed
EP-1928850-B1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYR RECEPTORS UNIV COLUMBIA (US) 2013-06-19 EP disclosed
WO-2006101497-A2 NOVEL ANTI-ARRYTHMIC AND HEART FAILURE DRUGS THAT TARGET THE LEAK IN THE RYANODINE RECEPTOR (RYR2) THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-09-28 WO disclosed
WO-2006101496-A1 NOVEL ANTI-ARRYTHMIC AND HEART FAILURE DRUGS THAT TARGET THE LEAK IN THE RYANODINE RECEPTOR (RYR2) THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-09-28 WO disclosed
US-20060194767-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-08-31 US disclosed
EP-1684735-A2 COMPOUNDS AND METHODS FOR TREATING AND PREVENTING EXERCISE-INDUCED CARDIAC ARRHYTHMIAS The Trustees of Columbia University in the City of New York (US) 2006-08-02 EP disclosed
WO-2005094457-A2 NOVEL ANTI-ARRHYTHMIC AND HEART FAILURE DRUGS THAT TARGET THE LEAK IN THE RYANODINE RECEPTOR (RYR2) AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-10-13 WO disclosed
US-20050215540-A1 Novel anti-arrhythmic and heart failure drugs that target the leak in the ryanodine receptor (RyR2) and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2005-09-29 US disclosed
US-20050186640-A1 Novel anti-arrythmic and heart failure drugs that target the leak in the ryanodine receptor (RYR2) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-25 US disclosed
US-20050187386-A1 Novel anti-arrythmic and heart failure drugs that target the leak in the ryanodine receptor (RyR2) THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2005-08-25 US disclosed
WO-2005037195-A2 COMPOUNDS AND METHODS FOR TREATING AND PREVENTING EXERCISE-INDUCED CARDIAC ARRHYTHMIAS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OFNEW YORK (US) 2005-04-28 WO disclosed
US-20040229781-A1 Compounds and methods for treating and preventing exercise-induced cardiac arrhythmias THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2004-11-18 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 (7 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-11844803-B2 Renal dysfunction improving drug comprising optical isomer of 1,4-benzothiazepine-1-oxide derivative REN, CYP11B1, CYP11B2 KCNH2 242/4885RYR2 316/4885
US-20040229781-A1 Compounds and methods for treating and preventing exercise-induced cardiac arrhythmias RYR2, RYR1, FKBP4 KCNH2 108/4885RYR2 1/4885
US-20060194767-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors RYR2, RYR1, ATP2A1 KCNH2 315/4885RYR2 1/4885
US-20050215540-A1 Novel anti-arrhythmic and heart failure drugs that target the leak in the ryanodine receptor (RyR2) and uses thereof RYR2, RYR1, ATP2A1 KCNH2 79/4885RYR2 1/4885
US-20140135313-A1 1,4-BENZOTHIAZEPINE-1-OXIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION UTILIZING THE SAME ADRA1D, HSD11B1, CACNA1D KCNH2 151/4885RYR2 27/4885
US-20200390782-A1 RENAL DYSFUNCTION IMPROVING DRUG COMPRISING OPTICAL ISOMER OF 1,4-BENZOTHIAZEPINE-1-OXIDE DERIVATIVE REN, CYP11B1, CYP11B2 KCNH2 242/4885RYR2 316/4885
US-20050187386-A1 Novel anti-arrythmic and heart failure drugs that target the leak in the ryanodine receptor (RyR2) RYR2, RYR1, ATP2A3 KCNH2 190/4885RYR2 1/4885

“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.