Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2860102

Cl.O=C1CNCCN1c1cccc(Cl)c1

nearest known ligand 0.59

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
SLC6A4 known ✓ P31645 3/20 0.57
SLC6A2 known ✓ P23975 2/20 0.57
SLC6A3 known ✓ Q01959 2/20 0.57
HTR1A known ✓ P08908 2/20 0.57
HTR2A known ✓ P28223 2/20 0.57
HTR3E known ✓ A5X5Y0 1/20 0.57
HTR3B known ✓ O95264 1/20 0.57
ADRB1 known ✓ P08588 1/20 0.57
HTR2C known ✓ P28335 1/20 0.57
HTR7 known ✓ P34969 1/20 0.57
HTR2B known ✓ P41595 1/20 0.57
HTR3A known ✓ P46098 1/20 0.57
HTR6 known ✓ P50406 1/20 0.57
HTR3D known ✓ Q70Z44 1/20 0.57
HTR3C known ✓ Q8WXA8 1/20 0.57
SIGMAR1 known ✓ Q99720 1/20 0.57
DRD2 known ✓ P14416 3/20 0.47
HTR1D known ✓ P28221 1/20 0.41
HRH1 known ✓ P35367 1/20 0.41
ADRA1B known ✓ P35368 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
SCHEMBL3657785 0.98 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HTR1ACYP2D6
Hydrochloric Acid SCHEMBL1583755 0.84 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3HTR1AHTR2A
SCHEMBL1583660 0.83 POLB (0.49) SLC6A4SLC6A2SLC6A3HTR1AHTR2A
Hydrochloric Acid SCHEMBL3657338 0.82 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3HTR3EHTR3B
Hydrochloric Acid SCHEMBL2854834 0.82 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3HTR1AHTR3E
SCHEMBL1583042 0.81 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HTR1ACYP2D6
SCHEMBL12892216 0.81 ADRB1 (0.57) SLC6A4SLC6A2SLC6A3ADRB1DRD2
Hydrochloric Acid SCHEMBL1584246 0.81 DRD2 (0.57) SLC6A4SLC6A2SLC6A3DRD2ALOX5
Hydrochloric Acid SCHEMBL1584087 0.81 ADRB1 (0.57) SLC6A4SLC6A2SLC6A3HTR1AHTR2A
SCHEMBL655077 0.80 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3HTR2AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114516925-B Photopolymerization initiation system based on nitrogen-containing heterocyclic ketone compound and photopolymerization method thereof 海南师范大学 2023-07-14 CN claimed
CN-114516925-A Photopolymerization initiation system based on nitrogen-containing heterocyclic ketone compound and photopolymerization method thereof 海南师范大学 2022-05-20 CN claimed
WO-2000001691-A1 PROCESS FOR MAKING FARNESYL-PROTEIN TRANSFERASE INHIBITORS MERCK & CO., INC. (US) 2000-01-13 WO claimed
CN-114516925-B Photopolymerization initiation system based on nitrogen-containing heterocyclic ketone compound and photopolymerization method thereof 海南师范大学 2023-07-14 CN disclosed
CN-114516925-A Photopolymerization initiation system based on nitrogen-containing heterocyclic ketone compound and photopolymerization method thereof 海南师范大学 2022-05-20 CN disclosed
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 EP disclosed
WO-2001007437-A1 CRYSTAL FORMS OF 1-(3-CHLOROPHENYL)-4-[1-(4-CYANOBENZYL)-5-IMIDAZOLYLMETHYL]-2-PIPERAZINONE MERCK & CO., INC. (US) 2001-02-01 WO disclosed
WO-2001005430-A1 SUSTAINED RELEASE DRUG DISPERSION DELIVERY DEVICE MERCK & CO., INC. (US) 2001-01-25 WO disclosed
WO-2000075135-A1 BIARYL INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-12-14 WO disclosed
US-6160118-A Process for the synthesis of substituted piperazinones via Mitsunobu reaction MERCK & CO., INC. (US) 2000-12-12 US disclosed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO disclosed
WO-2000025789-A1 A METHOD OF TREATING ENDOMETRIOSIS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
WO-2000016778-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO disclosed
WO-2000001678-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED PIPERAZINONES VIA MITSUNOBU REACTION MERCK & CO., INC. (US) 2000-01-13 WO disclosed
WO-2000001691-A1 PROCESS FOR MAKING FARNESYL-PROTEIN TRANSFERASE INHIBITORS MERCK & CO., INC. (US) 2000-01-13 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 (2 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P SLC6A4 3887/4885SLC6A2 3396/4885SLC6A3 3476/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SLC6A4 3887/4885SLC6A2 3396/4885SLC6A3 3476/4885

“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.