Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21058874

CN1CC2(CCNCC2)C1.Cl.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 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 6/20 0.41
HPGD P15428 4/20 0.41
CYP1A2 P05177 6/20 0.40
CYP2D6 P10635 9/20 0.38
USP2 O75604 7/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2C9 P11712 3/20 0.38
MAPK1 P28482 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 1/20 0.34
CYP2C19 P33261 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1753502 0.97 TSHR (0.43) TSHRALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL18912039 0.88 TSHR (0.38) TSHRALDH1A1HSD17B10HPGDCYP1A2
Hydrochloric Acid SCHEMBL27007071 0.83 TSHR (0.44) TSHRALDH1A1HSD17B10HPGDCYP1A2
Hydrochloric Acid SCHEMBL1298944 0.83 TSHR (0.44) TSHRALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL3810524 0.82
SCHEMBL1753673 0.80 CYP2D6 (0.41) TSHRALDH1A1HSD17B10HPGDCYP1A2
Hydrochloric Acid SCHEMBL19717229 0.80 CYP2D6 (0.49) TSHRALDH1A1HSD17B10HPGDCYP1A2
Hydrochloric Acid SCHEMBL21058494 0.80 CYP2D6 (0.49) TSHRALDH1A1HSD17B10HPGDCYP1A2
Hydrochloric Acid SCHEMBL2761785 0.77 CYP2D6 (0.44) TSHRALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL30105777 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115571-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2025-04-10 US disclosed
CN-113527335-B Macrocyclic compound as EGFR inhibitor and application thereof 南京圣和药业股份有限公司 2025-02-11 CN disclosed
US-12012393-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2024-06-18 US disclosed
US-20240018122-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-18 US disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
US-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-07-06 US disclosed
EP-4182308-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-05-24 EP disclosed
CN-116096719-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2023-05-09 CN disclosed
EP-4166553-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-04-19 EP disclosed
WO-2023011610-A1 BENZODIOXANE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 南京红云生物科技有限公司 2023-02-09 WO disclosed
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 CN disclosed
US-20220213057-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2022-07-07 US disclosed
US-11306068-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2022-04-19 US disclosed
US-10710975-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2020-07-14 US 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 (9 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 TSHR 2335/4885ALDH1A1 411/4885HSD17B10 1437/4885
US-11306068-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 TSHR 2335/4885ALDH1A1 411/4885HSD17B10 1437/4885
US-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, EGFR, WEE2 TSHR 4056/4885ALDH1A1 1742/4885HSD17B10 3550/4885
US-20240018122-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS ALK, TGFBR1, ACVR1 TSHR 1137/4885ALDH1A1 742/4885HSD17B10 3973/4885
US-10710975-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 TSHR 2335/4885ALDH1A1 411/4885HSD17B10 1437/4885
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 TSHR 2335/4885ALDH1A1 411/4885HSD17B10 1437/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 TSHR 1374/4885ALDH1A1 3822/4885HSD17B10 3470/4885
US-20250115571-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 TSHR 2335/4885ALDH1A1 411/4885HSD17B10 1437/4885
US-12012393-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 TSHR 2335/4885ALDH1A1 411/4885HSD17B10 1437/4885

“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.