Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29880849

Cl.Cl.NNC(=O)[C@@H]1CCCNC1

nearest known ligand 0.60

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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
SLC6A1 known ✓ P30531 2/20 0.57
ROCK2 known ✓ O75116 1/20 0.38
HTR6 known ✓ P50406 1/20 0.34
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.60
ATM Q13315 1/20 0.60
CYP2D6 P10635 1/20 0.60
SLC6A11 P48066 1/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SLC6A13 Q9NSD5 1/20 0.57
NOS2 P35228 1/20 0.50
ULK1 O75385 1/20 0.43
APLNR P35414 2/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
ALOX15 P16050 1/20 0.39
F10 P00742 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
Hydrochloric Acid SCHEMBL15971577 1.00 KDM4E (0.60) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL15971806 1.00 KDM4E (0.60) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL29880648 1.00 KDM4E (0.60) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL14756718 0.98 KDM4E (0.62) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL3824801 0.98 KDM4E (0.62) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL2827677 0.98 KDM4E (0.62) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL14756734 0.86
SCHEMBL21064299 0.86
Hydrochloric Acid SCHEMBL5908246 0.81 SLC6A1 (0.57) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL13485777 0.80 SLC6A1 (0.61) KDM4EMAPTKMT2AATMCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897843-B2 Process for the preparation of enantiomerically enriched 3-aminopiperidine REUTER CHEMISCHE APPARATEBAU KG 2024-02-13 US disclosed
US-20230008387-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED 3-AMINOPIPERIDINE REUTER CHEMISCHE APPARATEBAU KG (DE) 2023-01-12 US disclosed
US-11472770-B2 Process for the preparation of enantiomerically enriched 3-aminopiperidine REUTER CHEMISCHE APPARATEBAU KG 2022-10-18 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 (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-20230008387-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED 3-AMINOPIPERIDINE NPEPPS, AASDHPPT, DNPEP SLC6A1 1971/4885ROCK2 1910/4885HTR6 459/4885
US-11472770-B2 Process for the preparation of enantiomerically enriched 3-aminopiperidine NPEPPS, AASDHPPT, DNPEP SLC6A1 1971/4885ROCK2 1910/4885HTR6 459/4885
US-11897843-B2 Process for the preparation of enantiomerically enriched 3-aminopiperidine NPEPPS, AASDHPPT, DNPEP SLC6A1 1807/4885ROCK2 1819/4885HTR6 386/4885

“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.