Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21905136

CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1.Cl

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 6)

geneUniProtsupporting neighboursconfidence
PDE5A known ✓ O76074 20/20 0.98
PDE6C P51160 2/20 0.98
PDE11A Q9HCR9 2/20 0.98
PDE1A P54750 1/20 0.98
PDE1B Q01064 1/20 0.98
PDE1C Q14123 1/20 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
Hydrochloric Acid SCHEMBL21905144 0.99 PDE5A (0.97) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2559771 0.99 PDE5A (1.00) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL29540996 0.99 PDE5A (1.00) PDE5APDE6CPDE11APDE1APDE1B
Acetic Acid SCHEMBL21905146 0.97 PDE5A (0.95) PDE5APDE6CPDE11APDE1APDE1B
Sulfuric Acid SCHEMBL21905135 0.96 PDE5A (0.94) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL21905145 0.96 PDE5A (0.94) PDE5APDE6CPDE11APDE1APDE1B
Succinic Acid SCHEMBL21905140 0.95 PDE5A (0.92) PDE5APDE6CPDE11APDE1APDE1B
Succinic Acid SCHEMBL21905139 0.95 PDE5A (0.92) PDE5APDE6CPDE11APDE1APDE1B
Fumaric Acid SCHEMBL21905133 0.95 PDE5A (0.91) PDE5APDE6CPDE11APDE1APDE1B
Maleic Acid SCHEMBL21905142 0.95 PDE5A (0.91) PDE5APDE6CPDE11APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114344306-B Pharmaceutical composition containing phenylpyrimidinone hydrochloride, pharmaceutical preparation containing pharmaceutical composition, preparation method and application of pharmaceutical composition 苏州旺山旺水生物医药有限公司 2023-09-26 CN disclosed
EP-3650444-B1 SALT AND POLYMORPH OF BENZOPYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INST MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2022-09-07 EP disclosed
US-11434226-B2 Salt and polymorph of benzopyrimidinone compound and pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-09-06 US disclosed
CN-109476610-B Salt and polymorphic substance of phenyl pyrimidone compound, and pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-05-24 CN disclosed
CN-114344306-A Pharmaceutical composition containing phenylpyrimidinone hydrochloride, pharmaceutical preparation containing same, and preparation method and application of pharmaceutical composition 苏州旺山旺水生物医药有限公司 2022-04-15 CN disclosed
EP-3650444-A1 SALT AND POLYMORPH OF BENZOPYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute Materia Medica, Chinese Academy Of Sciences (CN) 2020-05-13 EP disclosed
US-20200140415-A1 Salt and Polymorph of Benzopyrimidinone Compound and Pharmaceutical Composition and Use Thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-05-07 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 (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-20200140415-A1 Salt and Polymorph of Benzopyrimidinone Compound and Pharmaceutical Composition and Use Thereof CYP2C19, TPMT, CYP2C9 PDE5A 292/4885PDE6C 1694/4885PDE11A 607/4885
US-11434226-B2 Salt and polymorph of benzopyrimidinone compound and pharmaceutical composition and use thereof CYP2C19, TPMT, CYP2C9 PDE5A 292/4885PDE6C 1694/4885PDE11A 607/4885

“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.