Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1899735

Cl.Clc1ccc(-n2ccc(OCCCCN3CCOCC3)n2)cc1Cl

nearest known ligand 0.98

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 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 20/20 0.98

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
SCHEMBL467188 0.99 SIGMAR1 (1.00) SIGMAR1
Hydrochloric Acid SCHEMBL1900989 0.93 SIGMAR1 (0.98) SIGMAR1
SCHEMBL467270 0.92 SIGMAR1 (1.00) SIGMAR1
SCHEMBL728818 0.90 SIGMAR1 (0.88) SIGMAR1
Hydrochloric Acid SCHEMBL1893422 0.90 SIGMAR1 (0.89) SIGMAR1
Hydrochloric Acid SCHEMBL1896150 0.89 SIGMAR1 (0.91) SIGMAR1
SCHEMBL466960 0.89 SIGMAR1 (0.91) SIGMAR1
SCHEMBL466942 0.88 SIGMAR1 (0.93) SIGMAR1
Hydrochloric Acid SCHEMBL1897849 0.86 SIGMAR1 (0.95) SIGMAR1
SCHEMBL467377 0.86 SIGMAR1 (1.00) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463339-B1 USE OF SIGMA RECEPTOR LIGANDS IN CANCER ESTEVE PHARMACEUTICALS SA (ES) 2023-12-06 EP disclosed
CN-109310672-B Use of sigma receptor ligands in cancer 埃斯特韦制药有限公司 2022-05-03 CN disclosed
US-20190142840-A1 USE OF SIGMA RECEPTOR LIGANDS IN CANCER ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-05-16 US disclosed
US-20170273948-A1 USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2017-09-28 US disclosed
US-8470867-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-25 US disclosed
US-8314096-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-11-20 US disclosed
US-8293740-B2 Sigma receptor inhibitors LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2012-10-23 US disclosed
EP-1781618-B1 SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2012-10-03 EP disclosed
EP-2325174-A1 Sigma receptor inhibitors Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-05-25 EP disclosed
US-20100190780-A1 SIGMA RECEPTOR INHIBITORS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-07-29 US disclosed
US-20100190781-A1 SIGMA RECEPTOR INHIBITORS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-07-29 US disclosed
US-20100190790-A1 SIGMA RECEPTOR INHIBITORS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-07-29 US disclosed
US-7696199-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-13 US disclosed
US-20080125416-A1 Sigma Receptor Inhibitors ESTEVE PHARMACEUTICALS, S.A. (ES) 2008-05-29 US disclosed
EP-1781618-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-09 EP disclosed
WO-2006021462-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 WO 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-20190142840-A1 USE OF SIGMA RECEPTOR LIGANDS IN CANCER SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885
US-20100190790-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885
US-20080125416-A1 Sigma Receptor Inhibitors SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885
US-20170273948-A1 USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885
US-20100190781-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885
US-20100190780-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 SIGMAR1 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.