Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21059082

CC(C)(C)C[C@H](N)C(=O)O.Cl

nearest known ligand 0.46

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
PTGS1 known ✓ P23219 2/20 0.44
GRIN2D known ✓ O15399 1/20 0.41
GRIN3B known ✓ O60391 1/20 0.41
GRIN1 known ✓ Q05586 1/20 0.41
GRIN2A known ✓ Q12879 1/20 0.41
GRIN2B known ✓ Q13224 1/20 0.41
GRIN2C known ✓ Q14957 1/20 0.41
GRIN3A known ✓ Q8TCU5 1/20 0.41
DPP4 known ✓ P27487 1/20 0.40
SLC7A5 Q01650 1/20 0.46
SLC7A11 Q9UPY5 1/20 0.44
GRIK1 P39086 5/20 0.44
SLC1A2 P43004 6/20 0.41
SLC1A3 P43003 5/20 0.41
SLC1A1 P43005 5/20 0.41
GGT1 P19440 2/20 0.41
GRIK2 Q13002 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
GRM8 O00222 1/20 0.41

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 SCHEMBL28431532 1.00 SLC7A5 (0.46) SLC7A5PTGS1SLC7A11GRIK1SLC1A2
Hydrochloric Acid SCHEMBL18770586 1.00 SLC7A5 (0.46) SLC7A5PTGS1SLC7A11GRIK1SLC1A2
SCHEMBL196695 0.97 SLC7A5 (0.48) SLC7A5PTGS1SLC7A11GRIK1SLC1A2
SCHEMBL197139 0.97 SLC7A5 (0.48) SLC7A5PTGS1SLC7A11GRIK1SLC1A2
SCHEMBL197117 0.97 SLC7A5 (0.48) SLC7A5PTGS1SLC7A11GRIK1SLC1A2
Ammonia Solution, Strong SCHEMBL28728215 0.95 SLC7A5 (0.46) SLC7A5PTGS1SLC7A11GRIK1SLC1A2
Chloromethane SCHEMBL29259265 0.95 SLC7A5 (0.46) SLC7A5PTGS1SLC7A11GRIK1SLC1A2
Trifluoroacetic Acid SCHEMBL4576488 0.87 GRB2 (0.42) SLC7A5PTGS1SLC7A11GRIK1SLC1A2
Trifluoroacetic Acid SCHEMBL27695113 0.87 GRB2 (0.42) SLC7A5PTGS1SLC7A11GRIK1SLC1A2
Leucine SCHEMBL9119565 0.85 SLC7A5 (0.72) SLC7A5GRIK1SLC1A2SLC1A3SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484661-B Hexavanadic acid- β -alanine tert-butyl ester derivative and preparation method and application thereof 湖北工业大学 2020-03-10 CN claimed
CN-119630672-A Camptothecin derivative and conjugate thereof, and preparation method and medical application thereof 一线医药(杭州)有限公司 2025-03-14 CN disclosed
US-12012393-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2024-06-18 US disclosed
EP-3724178-B1 1-(PIPERIDINOCARBONYLMETHYL)-2-OXOPIPERAZINE DERIVATIVES FOR TREATING CANCER Inthera Bioscience AG (CH) 2024-05-01 EP disclosed
CN-117136178-A SARS-COV-2 Mpro inhibitor compounds 赫帕雷斯治疗有限公司 2023-11-28 CN disclosed
CN-116327974-A Antibody-drug-conjugates (ADCs) with enzymatically cleavable groups 拜耳制药股份公司 2023-06-27 CN disclosed
US-20220213057-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2022-07-07 US disclosed
EP-3724178-A1 1 -(PIPERIDINOCARBONYLMETHYL)-2-OXOPIPERAZINE DERIVATIVES FOR TREATING CANCER Inthera Bioscience AG (CH) 2020-10-21 EP disclosed
US-20200308139-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2020-10-01 US disclosed
US-10710975-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2020-07-14 US disclosed
WO-2019118973-A1 1 -(PIPERIDINOCARBONYLMETHYL)-2-OXOPIPERAZINE DERIVATIVES FOR TREATING CANCER Inthera Bioscience AG (CH) 2019-06-20 WO disclosed
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2019-06-20 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-20220213057-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 PTGS1 509/4885GRIN2D 631/4885GRIN3B 1246/4885
US-10710975-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 PTGS1 509/4885GRIN2D 631/4885GRIN3B 1246/4885
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 PTGS1 509/4885GRIN2D 631/4885GRIN3B 1246/4885
US-20200308139-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 PTGS1 509/4885GRIN2D 631/4885GRIN3B 1246/4885
US-12012393-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 PTGS1 509/4885GRIN2D 631/4885GRIN3B 1246/4885

“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.