Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3603216

COC(=O)C(CN)NC(=O)OCc1ccccc1.Cl

nearest known ligand 0.62

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
TACR1 known ✓ P25103 2/20 0.52
KYNU Q16719 1/20 0.62
ALDH1A1 P00352 1/20 0.60
ALOX15 P16050 1/20 0.60
CTSK P43235 5/20 0.55
CTSS P25774 4/20 0.54
CTSL P07711 3/20 0.54
CTSB P07858 3/20 0.54
TRPM8 Q7Z2W7 1/20 0.53
CTRB1 P17538 2/20 0.51
ATM Q13315 1/20 0.51

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 SCHEMBL3603219 1.00 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
Hydrochloric Acid SCHEMBL3258256 1.00 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL3258258 0.99 KYNU (0.63) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL2115471 0.99 KYNU (0.63) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL4346138 0.99 KYNU (0.63) KYNUALDH1A1ALOX15CTSKCTSS
Trifluoroacetic Acid SCHEMBL5729191 0.92 ALDH1A1 (0.58) KYNUALDH1A1ALOX15CTSKCTSS
Hydrochloric Acid SCHEMBL6933213 0.91 CTSK (0.54) KYNUALDH1A1ALOX15CTSKCTSS
Hydrochloric Acid SCHEMBL28683702 0.91 CTSK (0.54) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL29017554 0.90 CTSK (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL30437751 0.90 CTSK (0.56) KYNUALDH1A1ALOX15CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3985001-B1 PHARMACEUTICAL COMPOSITION FOR USE IN TREATING A CANCER SERVIER LAB (FR) 2026-04-29 EP disclosed
WO-2025011610-A1 AMIDE DERIVATIVE, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2025-01-16 WO disclosed
US-20240059733-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2024-02-22 US disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed
CN-116332809-A Process for producing alkylamine derivative and intermediate for production thereof 味之素株式会社 2023-06-27 CN disclosed
US-11667673-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-06-06 US disclosed
CN-115536556-A Process for producing alkylamine derivative and intermediate for producing the same 味之素株式会社 2022-12-30 CN disclosed
EP-3868753-B1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP BRISTOL MYERS SQUIBB CO (US) 2022-12-21 EP disclosed
CN-114874222-A Carrying non-aromatic P2 , Novel macrocyclic form of factor XIA 百时美施贵宝公司 2022-08-09 CN disclosed
CN-114805365-A Carrying non-aromatic P2 , Novel macrocyclic form of factor XIA 百时美施贵宝公司 2022-07-29 CN disclosed
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
WO-1997015568-A1 FIBRINOGEN RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1996040656-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO., INC. (US) 1996-12-19 WO disclosed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed
US-5525617-A ANTICOAGULANT MERCK & CO., INC. (US) 1996-06-11 US disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1995017397-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-06-29 WO disclosed
US-5416099-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1995-05-16 US disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 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 (2 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-20240059733-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A TACR1 4621/4885KYNU 3092/4885ALDH1A1 413/4885
US-11667673-B2 Therapeutically active compounds and their methods of use IDH1, IDH3B, IDH3A TACR1 4621/4885KYNU 3092/4885ALDH1A1 413/4885

“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.