Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2719586

CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1.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 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 known ✓ P34969 18/20 1.00
▸ HTR1B known ✓ P28222 6/20 1.00
▸ DRD3 known ✓ P35462 6/20 1.00
▸ HTR5A known ✓ P47898 2/20 1.00
▸ ADRA2A known ✓ P08913 1/20 1.00
▸ ADRA2B known ✓ P18089 1/20 1.00
▸ ADRA2C known ✓ P18825 1/20 1.00
▸ OPRM1 known ✓ P35372 1/20 1.00
▸ OPRK1 known ✓ P41145 1/20 1.00
▸ HTR1A known ✓ P08908 5/20 0.98
▸ DRD2 known ✓ P14416 5/20 0.98
▸ HTR1D known ✓ P28221 5/20 0.98
▸ HTR6 known ✓ P50406 2/20 0.98
▸ HTR2B known ✓ P41595 2/20 0.98
▸ HTR4 known ✓ Q13639 1/20 0.98
▸ SIGMAR1 known ✓ Q99720 1/20 0.73
▸ ADRA1B known ✓ P35368 2/20 0.67
▸ HTR1E known ✓ P28566 1/20 0.67
▸ HTR2A known ✓ P28223 1/20 0.60
▸ HTR2C known ✓ P28335 1/20 0.60

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
Hydrochloric Acid SCHEMBL2719588 1.00 HTR7 (1.00) HTR7HTR1BDRD3HTR5ATMEM97
SCHEMBL375474 0.99 HTR7 (1.00) HTR7HTR1BDRD3HTR5ATMEM97
SCHEMBL375475 0.99 HTR7 (1.00) HTR7HTR1BDRD3HTR5ATMEM97
Sb-258741 SCHEMBL4454954 0.87 HTR7 (1.00) HTR7HTR1BDRD3HTR5ATMEM97
Sb-258741 SCHEMBL4459020 0.87 HTR7 (1.00) HTR7HTR1BDRD3HTR5ATMEM97
Hydrochloric Acid SCHEMBL14893193 0.87 HTR7 (0.77) HTR7HTR1BDRD3HTR5ATMEM97
SCHEMBL4298542 0.86 HTR7 (1.00) HTR7HTR1BDRD3HTR5ATMEM97
SCHEMBL4298546 0.86 HTR7 (1.00) HTR7HTR1BDRD3HTR5ATMEM97
SCHEMBL5809435 0.86 HTR7 (0.78) HTR7HTR1BDRD3HTR5ATMEM97
SCHEMBL14117920 0.85 HTR7 (0.77) HTR7HTR1BDRD3HTR5ATMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10898516-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN UNIVERSITY (US) 2021-01-26 — — US claimed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 — — US claimed
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN UNIVERSITY 2019-08-22 — — US claimed
US-10272106-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN RESERVE UNIVERSITY (US) 2019-04-30 — — US claimed
US-20170196908-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN RESERVE UNIVERSITY 2017-07-13 — — US claimed
EP-3151818-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY Case Western Reserve University (US) 2017-04-12 — — EP claimed
WO-2015187942-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN RESERVE UNIVERSITY (US) 2015-12-10 — — WO claimed
US-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-08-21 — — US claimed
US-20130287705-A1 METHOD OF TREATING MUCOSAL INFLAMMATION MCMASTER UNIVERSITY (CA) 2013-10-31 — — US claimed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 — — WO claimed
WO-2012058769-A1 METHOD OF TREATING MUCOSAL INFLAMMATION MCMASTER UNIVERSITY (CA) 2012-05-10 — — WO claimed
CN-110475773-B 8-Phenylisoquinoline and pharmaceutical composition thereof for treating irritable bowel syndrome 琳达·佳慧·余 2025-06-24 — — CN disclosed
EP-3589626-B1 8-PHENYL-ISOQUINOLINES AND PHARMACEUTICAL COMPOSITION THEREOF USED IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME UNIV NAT TAIWAN (TW) 2024-06-12 — — EP disclosed
US-20240093148-A1 METHOD FOR DIFFERENTIATING HUMAN INDUCED PLURIPOTENT STEM CELLS INTO OLIGODENDROCYTES, AND KIT AND USE ALLIFE MEDICINE (ZHUHAI) LIMITED (CN) 2024-03-21 — — US disclosed
US-11505529-B2 8-phenyl-isoquinolines and pharmaceutical composition thereof used in the treatment of irritable bowel syndrome NATIONAL TAIWAN UNIVERSITY (TW) 2022-11-22 — — US disclosed
US-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-08-21 — — US disclosed
US-20130287705-A1 METHOD OF TREATING MUCOSAL INFLAMMATION MCMASTER UNIVERSITY (CA) 2013-10-31 — — US disclosed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 — — WO disclosed
WO-2012058769-A1 METHOD OF TREATING MUCOSAL INFLAMMATION MCMASTER UNIVERSITY (CA) 2012-05-10 — — WO disclosed
US-20090275563-A1 Combination of 5-HT7 Receptor Antagonist and Serotonin Reuptake Inhibitor Therapy BONAVENTURE PASCAL 2009-11-05 — — 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 (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-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TXNRD2, TXNRD1 HTR7 3012/4885HTR1B 3415/4885DRD3 4353/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 HTR7 897/4885HTR1B 1116/4885DRD3 1472/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 HTR7 897/4885HTR1B 1116/4885DRD3 1472/4885
US-11505529-B2 8-phenyl-isoquinolines and pharmaceutical composition thereof used in the treatment of irritable bowel syndrome HTR7, GPR27, HTR5A HTR7 1/4885HTR1B 39/4885DRD3 579/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 HTR7 3012/4885HTR1B 3415/4885DRD3 4353/4885
US-20170196908-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 HTR7 897/4885HTR1B 1116/4885DRD3 1472/4885
US-20090275563-A1 Combination of 5-HT7 Receptor Antagonist and Serotonin Reuptake Inhibitor Therapy HTR7, HTR1A, HTR6 HTR7 1/4885HTR1B 11/4885DRD3 183/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 HTR7 897/4885HTR1B 1116/4885DRD3 1472/4885

“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.

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