Hydrochloric Acid

Hydrochloric Acid

SCHEMBL730625

Cl.Fc1ccc(C2=CCNCC2)cc1

nearest known ligand 0.67

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 8)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 9/20 0.67
SIGMAR1 known ✓ Q99720 2/20 0.63
SCN9A known ✓ Q15858 1/20 0.48
HTR6 known ✓ P50406 2/20 0.48
HTR2A known ✓ P28223 1/20 0.48
HTR7 known ✓ P34969 1/20 0.48
QDPR P09417 3/20 0.63
KHK P50053 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
SCHEMBL532892 0.98 HTR2C (0.66) HTR2CQDPRSIGMAR1KHKSCN9A
Hydrochloric Acid SCHEMBL2826227 0.89 HTR2C (0.53) HTR2CQDPRSIGMAR1KHKSCN9A
SCHEMBL3043133 0.88 SCN9A (0.61) HTR2CQDPRSIGMAR1KHKSCN9A
SCHEMBL3032622 0.88 HTR2C (0.54) HTR2CQDPRSIGMAR1KHKSCN9A
SCHEMBL1237550 0.86 HTR2C (0.52) HTR2CQDPRSIGMAR1KHKSCN9A
SCHEMBL4671057 0.85 SIGMAR1 (0.56) HTR2CQDPRSIGMAR1KHKSCN9A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL28143349 0.84 HTR2C (0.57) HTR2CQDPRSIGMAR1
Hydrochloric Acid SCHEMBL28669700 0.84 HTR2C (0.60) HTR2CQDPRSIGMAR1SCN9AHTR6
SCHEMBL6312184 0.83 QDPR (0.55) HTR2CQDPRSIGMAR1KHKSCN9A
Hydrochloric Acid SCHEMBL2828350 0.82 HTR2C (0.46) HTR2CQDPRSIGMAR1HTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459899-B2 Isoquinolinone derivatives, method for preparing the same, and pharmaceutical composition for preventing or treating poly(ADP-ribose) polymerase-1-related diseases, comprising the same as active ingredient DIGMBIO, Inc. (KR) 2025-11-04 US disclosed
US-11993585-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2024-05-28 US disclosed
US-20230027362-A1 ISOQUINOLINONE DERIVATIVES, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING POLY(ADP-RIBOSE) POLYMERASE-1-RELATED DISEASES, COMPRISING THE SAME AS ACTIVE INGREDIENT DIGMBIO. INC. (KR) 2023-01-26 US disclosed
CN-110167926-B Poly-ADP ribose polymerase (PARP) inhibitors 米托布里奇公司 2022-09-13 CN disclosed
EP-4053106-A1 ISOQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION, COMPRISING SAME AS ACTIVE INGREDIENT, FOR PREVENTION OR TREATMENT OF POLY(ADP-RIBOSE)POLYMERASE-1 (PARP-1)-ASSOCIATED DISEASE Digmbio. Inc. (KR) 2022-09-07 EP disclosed
CN-114929673-A Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for preventing or treating poly (ADP-ribose) polymerase 1(PARP-1) -related diseases comprising the same as active ingredient 多临生物株式会社 2022-08-19 CN disclosed
US-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2022-02-03 US disclosed
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2021-06-15 US disclosed
WO-2021086077-A1 ISOQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION, COMPRISING SAME AS ACTIVE INGREDIENT, FOR PREVENTION OR TREATMENT OF POLY(ADP-RIBOSE)POLYMERASE-1 (PARP-1)-ASSOCIATED DISEASE 충남대학교 산학협력단 2021-05-06 WO disclosed
EP-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 EP disclosed
WO-2000025782-A1 DIHYDROPYRIDINONES AND PYRROLINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO disclosed
WO-1999048530-A1 COMBINATION THERAPY FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1999-09-30 WO disclosed
WO-1999009984-A1 PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1999-03-04 WO disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN disclosed
EP-0873317-A1 PYRIMIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-10-28 EP disclosed
US-5688798-A PSYCHOTIC ILLNESS SUCH AS SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1997-11-18 US disclosed
WO-1997013759-A1 PYRIMIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-04-17 WO disclosed
US-3951987-A PSYCHOSEDATIVE HOFFMANN-LA ROCHE INC. (US) 1976-04-20 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 (5 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-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 HTR2C 2671/4885SIGMAR1 4034/4885SCN9A 4435/4885
US-11993585-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 HTR2C 2671/4885SIGMAR1 4034/4885SCN9A 4435/4885
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 HTR2C 2671/4885SIGMAR1 4034/4885SCN9A 4435/4885
US-12459899-B2 Isoquinolinone derivatives, method for preparing the same, and pharmaceutical composition for preventing or treating poly(ADP-ribose) polymerase-1-related diseases, comprising the same as active ingredient PARP1, PARP2, PARP11 HTR2C 3550/4885SIGMAR1 4143/4885SCN9A 3928/4885
US-20230027362-A1 ISOQUINOLINONE DERIVATIVES, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING POLY(ADP-RIBOSE) POLYMERASE-1-RELATED DISEASES, COMPRISING THE SAME AS ACTIVE INGREDIENT PARP1, PARP2, PARP11 HTR2C 3550/4885SIGMAR1 4143/4885SCN9A 3928/4885

“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.