Hydrochloric Acid

Hydrochloric Acid

SCHEMBL457517

Cl.O=C(Cl)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.63

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 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 1/20 0.48
L3MBTL3 Q96JM7 15/20 0.56
L3MBTL1 Q9Y468 13/20 0.56
MBTD1 Q05BQ5 5/20 0.56
TP53BP1 Q12888 2/20 0.53
L3MBTL4 Q8NA19 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL1401624 0.98 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL8141367 0.96 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
Hydrochloric Acid SCHEMBL29018586 0.84 POLB (0.56) L3MBTL3L3MBTL1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL18241088 0.82 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3020425 0.82 POLB (0.58) L3MBTL3L3MBTL1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL29018588 0.82 POLB (0.53) L3MBTL3L3MBTL1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL29018568 0.81 HRH3 (0.44) L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL920191 0.81 L3MBTL3 (0.61) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL6806463 0.81 L3MBTL3 (0.61) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
Hydrochloric Acid SCHEMBL30491041 0.81 L3MBTL3 (0.49) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773293-B Chrysin derivative and preparation method thereof 深圳枫语生物医药科技有限公司 2023-06-09 CN claimed
CN-113773293-A Chrysin derivative and preparation method thereof 深圳枫语生物医药科技有限公司 2021-12-10 CN claimed
CN-108484624-B Irinotecan hydrochloride impurity and synthesis method and application thereof 扬子江药业集团有限公司 2020-06-26 CN claimed
CN-108484624-A A kind of irinotecan hydrochloride impurity and its synthetic method and application 扬子江药业集团有限公司 2018-09-04 CN claimed
US-9765083-B2 Method for the synthesis of irinotecan SYNBIAS PHARMA AG (CH) 2017-09-19 US claimed
CN-102260272-B A kind of method preparing U 101440E YANGTZE RIVER PHARMACEUTICAL CO., LTD. (CN) 2016-01-13 CN claimed
EP-1846371-B1 PROCESS FOR PRODUCING [1,4']BIPIPERIDINYL-1'-CARBONYL CHLORIDE OR HYDROCHLORIDE THEREOF FERMION OY (FI) 2013-07-31 EP claimed
EP-2189461-B1 Crystalline irinotecan hydrochloride and methods for the preparation thereof OLON SPA (IT) 2013-04-03 EP claimed
US-8247426-B2 Crystalline irinotecan hydrochloride and methods for its preparation ANTIBIOTICOS S.P.A. (IT) 2012-08-21 US claimed
US-20100179180-A1 CRYSTALLINE IRINOTECAN HYDROCHLORIDE AND METHODS FOR ITS PREPARATION ANTIBIOTICOS S.P.A. (IT) 2010-07-15 US claimed
US-20070135471-A1 METHODS FOR PREPARING IRINOTECAN W. C. HERAEUS GMBH (DE) 2007-06-14 US claimed
EP-1791846-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF IRINOTECAN HYDROCHLORIDE TRIHYDRATE Shilpa Medicare Limited (IN) 2007-06-06 EP claimed
US-20060199961-A1 Method of manufacturing of 7-ethyl-10-[4-(1-piperidino)-1- piperidino]- carbonyloxy- camptothecin PLIVA - LACHEMA A.S., V LIKVIDACI (CZ) 2006-09-07 US claimed
WO-2006084940-A1 PROCESS FOR PRODUCING [1,4'] BIPIPERIDINYL-1'-CARBONYL CHLORIDE OR HYDROCHLORIDE THEREOF FERMION OY (FI) 2006-08-17 WO claimed
EP-1664054-A1 METHOD OF MANUFACTURING OF 7-ETHYL-10-[4-(1-PIPERIDINO)-1-PIPERIDINO]-CARBONYLOXYCAMPTOTHECIN Pliva-Lachema A.S. (CZ) 2006-06-07 EP claimed
WO-2006016203-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF IRINOTECAN HYDROCHLORIDE TRIHYDRATE SHILPA MEDICARE LIMITED (IN) 2006-02-16 WO claimed
WO-2005019223-A1 METHOD OF MANUFACTURING OF 7-ETHYL-10-[4-(1-PIPERIDINO)­-1- PIPERIDINO]- CARBONYLOXYCAMPTOTHECIN PLIVA-LACHEMA A.S. (CZ) 2005-03-03 WO claimed
EP-0976733-B1 PROCESS FOR PRODUCING 1-CHLOROCARBONYL-4-PIPERIDINOPIPERIDINE OR HYDROCHLORIDE THEREOF YAKULT HONSHA KK (JP) 2003-02-12 EP claimed
US-6147215-A Process for producing 1-chlorocarbonyl-4-piperidinopiperidine or hydrochloride thereof KABUSHIKI KAISHA YAKULT HONSHA (JP) 2000-11-14 US claimed
EP-0976733-A1 PROCESS FOR PRODUCING 1-CHLOROCARBONYL-4-PIPERIDINOPIPERIDINE OR HYDROCHLORIDE THEREOF Kabushiki Kaisha Yakult Honsha (JP) 2000-02-02 EP claimed

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-20100179180-A1 CRYSTALLINE IRINOTECAN HYDROCHLORIDE AND METHODS FOR ITS PREPARATION TYMP, TOP2A, TOP2B SIGMAR1 4135/4885L3MBTL3 4229/4885L3MBTL1 4003/4885
US-20060199961-A1 Method of manufacturing of 7-ethyl-10-[4-(1-piperidino)-1- piperidino]- carbonyloxy- camptothecin TYMP, PAICS, TOP2A SIGMAR1 2814/4885L3MBTL3 4622/4885L3MBTL1 4423/4885
US-20070135471-A1 METHODS FOR PREPARING IRINOTECAN TYMP, PNP, PAICS SIGMAR1 1462/4885L3MBTL3 4389/4885L3MBTL1 4767/4885

“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.