Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3526296

COC(=O)[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)C(C)C.Cl

nearest known ligand 0.53

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
ESR2 known ✓ Q92731 1/20 0.42
GAA known ✓ P10253 1/20 0.40
AVPR1A known ✓ P37288 1/20 0.38
MMP13 known ✓ P45452 1/20 0.38
MYC P01106 1/20 0.45
WDR5 P61964 1/20 0.45
MME P08473 1/20 0.43
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
ANPEP P15144 1/20 0.42
PTPN1 P18031 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADAM17 P78536 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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 SCHEMBL15663201 1.00 MYC (0.45) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL8065614 0.99 MYC (0.45) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL2174 0.99 MYC (0.45) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL2432 0.99 MYC (0.45) MYCWDR5MMEFFAR1AKR1B1
Oxalic Acid SCHEMBL1616541 0.96 MME (0.44) MYCWDR5MMEFFAR1AKR1B1
Hydrochloric Acid SCHEMBL3473569 0.89 FFAR1 (0.47) MYCWDR5MMEFFAR1AKR1B1
Hydrochloric Acid SCHEMBL2728 0.89 FFAR1 (0.47) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL3121 0.89 MYC (0.43) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL2465 0.89 MYC (0.43) MYCWDR5MMEFFAR1AKR1B1
Hydrochloric Acid SCHEMBL25430455 0.88 MME (0.47) MYCWDR5MMEFFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851549-A Experiment method for sodium bromide application 安徽云帆药业有限公司 2021-05-28 CN claimed
CN-112778159-A Synthesis method of valsartan intermediate 安徽云帆药业有限公司 2021-05-11 CN claimed
US-11655220-B2 Process for the preparation of angiotensin II receptor blockers HETERO LABS LIMITED (IN) 2023-05-23 US disclosed
US-20220127238-A1 PROCESS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR BLOCKERS HETERO LABS LIMITED (IN) 2022-04-28 US disclosed
CN-110078640-B Synthesis method of valsartan intermediate 浙江美诺华药物化学有限公司 2022-04-05 CN disclosed
CN-215327834-U Secondary amine methyl ester hydrochloride production system 江苏新瑞药业有限公司 2021-12-28 CN disclosed
CN-112851549-A Experiment method for sodium bromide application 安徽云帆药业有限公司 2021-05-28 CN disclosed
CN-112778159-A Synthesis method of valsartan intermediate 安徽云帆药业有限公司 2021-05-11 CN disclosed
CN-112778159-A Synthesis method of valsartan intermediate 安徽云帆药业有限公司 2021-05-11 CN disclosed
CN-111393327-A Preparation method of valsartan intermediate 河南豫辰药业股份有限公司 2020-07-10 CN disclosed
CN-110028426-A A kind of diovan foreign matter and preparation method thereof 浙江华海致诚药业有限公司 2019-07-19 CN disclosed
US-7659406-B2 Process for preparing valsartan DR. REDDY'S LABORATORIES LIMITED (IN) 2010-02-09 US disclosed
US-20060149079-A1 Process for preparing valsartan DR. REDDY'S LABORATORIES, INC. 2006-07-06 US disclosed
WO-2005049587-A1 PROCESS FOR PREPARATION OF BIPHENYL TETRAZOLE RANBAXY LABORATORIES LIMITED (IN) 2005-06-02 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 (3 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-20220127238-A1 PROCESS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR BLOCKERS AGTR2, AGTR1, ADRB1 ESR2 719/4885GAA 1100/4885AVPR1A 45/4885
US-11655220-B2 Process for the preparation of angiotensin II receptor blockers AGTR2, AGTR1, ADRB1 ESR2 719/4885GAA 1100/4885AVPR1A 45/4885
US-20060149079-A1 Process for preparing valsartan PREP, TMPRSS15, REN ESR2 4528/4885GAA 621/4885AVPR1A 5/4885

“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.