Hydrochloric Acid

Hydrochloric Acid

SCHEMBL890979

CCC(N)(CC)c1ccccc1.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 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.39
KCNN4 O15554 4/20 0.48
TAAR1 Q96RJ0 2/20 0.44
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.37
KIF11 P52732 3/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL141471 0.97 KCNN4 (0.50) KCNN4TAAR1SLC6A2CYP1A2CYP2D6
Bromide SCHEMBL11663273 0.95 KCNN4 (0.48) KCNN4TAAR1SLC6A2CYP1A2CYP2D6
SCHEMBL9799860 0.89 TAAR1 (0.45) KCNN4TAAR1SLC6A2MAPK1MAPT
Hydrochloric Acid SCHEMBL14833269 0.87 KCNN4 (0.41) KCNN4TAAR1SLC6A2CYP1A2CYP2D6
SCHEMBL7004942 0.86 TAAR1 (0.52) KCNN4TAAR1SLC6A2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL3756447 0.85 TAAR1 (0.52) KCNN4TAAR1SLC6A2CYP1A2CYP2D6
SCHEMBL13093815 0.84 KIF11 (0.46) KCNN4TAAR1KIF11MAPTSMN1; SMN2
SCHEMBL3406278 0.84 KCNN4 (0.42) KCNN4TAAR1SLC6A2CYP1A2CYP2D6
SCHEMBL1151000 0.84 KCNN4 (0.42) KCNN4TAAR1SLC6A2CYP1A2CYP2D6
SCHEMBL4230894 0.84 KCNN4 (0.42) KCNN4TAAR1SLC6A2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122450-A1 SYNTHESIS OF A SUBSTITUTED FURAN AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-05-05 US claimed
US-9226941-B2 Two-component cleaning and disinfecting system UNION GAS CAPITAL PARTNERS, LLC 2016-01-05 US claimed
US-20150320797-A1 TWO-COMPONENT CLEANING AND DISINFECTING SYSTEM UNION GAS CAPITAL PARTNERS, LLC 2015-11-12 US claimed
US-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2024-12-05 US disclosed
CN-116940351-A Prodrug compositions and methods of treatment 阿奎斯蒂弗医疗股份有限公司 2023-10-24 CN disclosed
CN-113795239-B Topical composition 帝斯曼知识产权资产管理有限公司 2023-10-13 CN disclosed
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2022-12-22 US disclosed
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof ALLERGAN, INC. (US) 2021-12-28 US disclosed
CN-111225900-A 3, 4-disubstituted 3-cyclobutene-1, 2-diones and their use 阿勒根公司 2020-06-02 CN disclosed
CN-110831570-A New use 帝斯曼知识产权资产管理有限公司 2020-02-21 CN disclosed
CN-105307647-B Oral bactericidal composition for treating oral mucositis 托马斯·贝尔纳多·加尔万冈萨雷斯 2019-06-28 CN disclosed
CN-101375826-A Aqueous concentrates made of isethionate, taurate and betaine CLARIANT INT LTD (CH) 2009-03-04 CN disclosed
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US disclosed
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 US disclosed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP disclosed
EP-1022275-A1 Process for purifying glycidyl (Meth) acrylate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-07-26 EP disclosed
EP-0105762-B1 PROCESS FOR PRODUCING ANTHRAQUINONE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-09 EP disclosed
US-4519947-A SULFONATING 1,4-DIAMINO-2,3-DIHALOGENO-ANTHRAQUINONE SUMITOMO CHEMICAL CO., LTD. (JP) 1985-05-28 US disclosed
EP-0105762-A2 Process for producing anthraquinone compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-18 EP disclosed
US-3984605-A Heat sensitive recording material containing decolorizing agent MITSUBISHI PAPER MILLS, LTD. (JA) 1976-10-05 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 (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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R SLC6A2 1318/4885KCNN4 714/4885TAAR1 1200/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 SLC6A2 1384/4885KCNN4 707/4885TAAR1 779/4885
US-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB SLC6A2 4854/4885KCNN4 3757/4885TAAR1 2534/4885
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof IL17A, TSLP, SSB SLC6A2 4854/4885KCNN4 3757/4885TAAR1 2534/4885
US-20160122450-A1 SYNTHESIS OF A SUBSTITUTED FURAN DCXR, PFAS, FUT6 SLC6A2 1627/4885KCNN4 826/4885TAAR1 3296/4885
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB SLC6A2 4854/4885KCNN4 3757/4885TAAR1 2534/4885

“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.