Hydrochloric Acid

Hydrochloric Acid

SCHEMBL944681

CCOC(=O)CC(C)(C)N.Cl

nearest known ligand 0.48

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
GAA known ✓ P10253 3/20 0.48
HSD11B1 known ✓ P28845 1/20 0.38
CA2 known ✓ P00918 1/20 0.35
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 6/20 0.44
TRPA1 O75762 1/20 0.44
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
SOAT1 P35610 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL1409293 0.98 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL27802055 0.84 SOAT1 (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7815798 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL9641564 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28789563 0.78 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL11856916 0.78 ALDH1A1 (0.36) ALDH1A1CYP1A2MAPT
Hydrochloric Acid SCHEMBL11851939 0.78 NAAA (0.45) ALDH1A1
Hydrochloric Acid SCHEMBL3088271 0.78 KDM4E (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL798062 0.78 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21052480 0.78 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-216497542-U Rotary evaporator for processing ethyl 3-amino-3-methylbutyrate hydrochloride 武汉市振邦生物科技有限公司 2022-05-13 CN claimed
WO-2025230799-A2 CYCLOALKYL- AND PIPERIDINYL-CONTAINING DIAMINOMETHYLENE PYRIMIDINE-2,4,6-TRIONE AGONISTS OF PARATHYROID HORMONE 1 AND INCRETIN RECEPTORS SEPTERNA, INC. (US) 2025-11-06 WO disclosed
US-20250313553-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTL GMBH CORP (DE) 2025-10-09 US disclosed
WO-2025096453-A1 COMPOUNDS FOR THE TREATMENT OF KIDNEY DISEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-05-08 WO disclosed
US-20250145608-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES BOEHRINGER INGELHEIM INTL GMBH CORP (DE) 2025-05-08 US disclosed
US-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 US disclosed
CN-119421877-A Substituted heterocyclic compounds as HSET inhibitors 默克专利股份公司 2025-02-11 CN disclosed
CN-119013272-A Cyclic 2-amino-3-cyanothiophenes and derivatives thereof for the treatment of cancer 勃林格殷格翰国际有限公司 2024-11-22 CN disclosed
EP-4441050-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2024-10-09 EP disclosed
EP-4441051-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES Boehringer Ingelheim International GmbH (DE) 2024-10-09 EP disclosed
US-20050043323-A1 Pyrimidylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 US disclosed
US-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 US disclosed
WO-2005013986-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 WO disclosed
WO-2005014572-A1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 WO disclosed
EP-0081581-B1 COMPOSITIONS FOR TREATING GLAUCOMA AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-12-30 EP disclosed
US-4559359-A Method for treating glaucoma by the topical administration of selectively metabolized beta-blocking agents AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-12-17 US disclosed
US-4455317-A Method for treating glaucoma by the topical administration of selectively metabolized beta-blocking agents AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1984-06-19 US disclosed
EP-0081581-A4 COMPOSITIONS FOR TREATING GLAUCOMA. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-11-21 EP disclosed
EP-0081581-A1 COMPOSITIONS FOR TREATING GLAUCOMA. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-06-22 EP disclosed
WO-1983000015-A1 COMPOSITIONS FOR TREATING GLAUCOMA AMERICAN HOSPITAL SUPPLY CORP (US) 1983-01-06 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 (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-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors MAP3K6, MAP3K5, MAP4K2 GAA 1253/4885HSD11B1 4487/4885CA2 3954/4885
US-20250313553-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 GAA 3667/4885HSD11B1 4601/4885CA2 1432/4885
US-20050043323-A1 Pyrimidylpyrrole derivatives active as kinase inhibitors TYMP, DTYMK, DCK GAA 921/4885HSD11B1 4348/4885CA2 4400/4885
US-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS VHL, CDKN1A, CCNI GAA 1328/4885HSD11B1 611/4885CA2 4377/4885
US-20250145608-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES KRAS, NRAS, TP53 GAA 383/4885HSD11B1 2142/4885CA2 1485/4885

“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.