Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16197893

CNCCC(=O)Cc1cccnc1.Cl

nearest known ligand 0.54

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 19)

geneUniProtsupporting neighboursconfidence
RET known ✓ P07949 1/20 0.44
FLT4 known ✓ P35916 1/20 0.44
NAPRT Q6XQN6 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TBXAS1 P24557 8/20 0.48
EPHX2 P34913 1/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 1/20 0.45
FES P07332 1/20 0.44
MARK3 P27448 1/20 0.44
TYK2 P29597 1/20 0.44
SYK P43405 1/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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 SCHEMBL23855082 1.00 NAPRT (0.54) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Hydrochloric Acid SCHEMBL31358964 1.00 NAPRT (0.54) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Hydrochloric Acid SCHEMBL31358963 1.00 NAPRT (0.54) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL16198319 0.98 NAPRT (0.56) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL30120603 0.98 NAPRT (0.56) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL7280697 0.81 NAPRT (0.61) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL3253168 0.80 NAPRT (0.74) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL30195679 0.79 NAPRT (0.62) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL28975712 0.79 NAPRT (0.62) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL28295321 0.79 L3MBTL1 (0.54) EPHX2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527187-B Asymmetric preparation method of nicotine 凯特立斯(深圳)科技有限公司 2023-12-26 CN claimed
EP-3925955-A1 METHOD FOR ASYMMETRICALLY PREPARING NICOTINE SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2021-12-22 EP claimed
WO-2021212880-A1 METHOD FOR ASYMMETRICALLY PREPARING NICOTINE 凯特立斯(深圳)科技有限公司 (CN) 2021-10-28 WO claimed
CN-113527187-A Asymmetric preparation method of nicotine 凯特立斯(深圳)科技有限公司 2021-10-22 CN claimed
US-20210300889-A1 METHOD FOR PREPARING ARTIFICIALLY SYNTHETIC (R,S)-NICOTINE SALT FEELLIFE HEALTH INC. (CN) 2021-09-30 US claimed
CN-112876454-A Preparation method of artificially synthesized (R, S) -nicotine salt 深圳梵活生命科学股份有限公司 2021-06-01 CN claimed
CN-107011321-A A kind of preparation method of artificial synthesized raceme nicotine 华健 2017-08-04 CN claimed
CN-113527187-B Asymmetric preparation method of nicotine 凯特立斯(深圳)科技有限公司 2023-12-26 CN disclosed
CN-117000304-A Application of cyclic quaternary ammonium base in preparation of racemic nicotine 国家烟草质量监督检验中心 2023-11-07 CN disclosed
CN-114702475-A Synthesis process of single-configuration nicotine 大连天源基化学有限公司 2022-07-05 CN disclosed
EP-3925955-A1 METHOD FOR ASYMMETRICALLY PREPARING NICOTINE SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2021-12-22 EP disclosed
EP-3925955-A1 METHOD FOR ASYMMETRICALLY PREPARING NICOTINE SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2021-12-22 EP disclosed
WO-2021212880-A1 METHOD FOR ASYMMETRICALLY PREPARING NICOTINE 凯特立斯(深圳)科技有限公司 (CN) 2021-10-28 WO disclosed
CN-113527187-A Asymmetric preparation method of nicotine 凯特立斯(深圳)科技有限公司 2021-10-22 CN disclosed
US-20210300889-A1 METHOD FOR PREPARING ARTIFICIALLY SYNTHETIC (R,S)-NICOTINE SALT FEELLIFE HEALTH INC. (CN) 2021-09-30 US disclosed
US-20210300889-A1 METHOD FOR PREPARING ARTIFICIALLY SYNTHETIC (R,S)-NICOTINE SALT FEELLIFE HEALTH INC. (CN) 2021-09-30 US disclosed
CN-112876454-A Preparation method of artificially synthesized (R, S) -nicotine salt 深圳梵活生命科学股份有限公司 2021-06-01 CN disclosed
CN-112876454-A Preparation method of artificially synthesized (R, S) -nicotine salt 深圳梵活生命科学股份有限公司 2021-06-01 CN disclosed
CN-107011321-A A kind of preparation method of artificial synthesized raceme nicotine 华健 2017-08-04 CN disclosed
WO-2014174505-A2 A PROCESS FOR THE PREPARATION OF NICOTINE COMPRISING THE ENZYMATIC REDUCTION OF 4- (METHYLAMINO) -1- (PYRIDIN-3- YL) BUTAN-1-ONE PERRIGO API LTD. (IL) 2014-10-30 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 (1 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-20210300889-A1 METHOD FOR PREPARING ARTIFICIALLY SYNTHETIC (R,S)-NICOTINE SALT SRM, BRSK2, BRSK1 RET 465/4885FLT4 3823/4885NAPRT 105/4885

“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.