Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29570147

COC(=O)[C@H]1Cc2c(Br)cccc2CN1.Cl

nearest known ligand 0.51

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 15)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.51
PDE5A known ✓ O76074 2/20 0.44
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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 SCHEMBL28486645 1.00 KDM4E (0.51) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL32676935 0.99 KDM4E (0.52) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL32676882 0.99 KDM4E (0.52) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL1869613 0.99 KDM4E (0.52) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL16271252 0.99 KDM4E (0.52) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL31651844 0.99 KDM4E (0.52) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL28609282 0.88 KDM4E (0.49) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL32676819 0.83 KDM4E (0.53) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL32677091 0.83 KDM4E (0.53) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL3429946 0.83 KDM4E (0.53) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503442-B2 Phenyl-3,4-dihydroisoquinolin-2(1h)-yl-ethan-1-one derivatives as dopamine d1receptor positive allosteric modulators ELI LILLY AND COMPANY (US) 2025-12-23 US disclosed
CN-111971282-B Pyrazolotetrahydroisoquinoline derivatives as dopamine D1 receptor positive modulators 伊莱利利公司 2024-03-19 CN disclosed
EP-4200280-B1 PHENYL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL-ETHAN-1-ONE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS LILLY CO ELI (US) 2024-02-21 EP disclosed
US-20230382869-A1 Phenyl-3,4-dihydroisoquinolin-2(1h)-yl-ethan-1-one derivatives as dopamine d1receptor positive allosteric modulators ELI LILLY AND COMPANY 2023-11-30 US disclosed
CN-116601146-A Phenyl-3, 4-dihydroisoquinolin-2 (1H) -yl-ethan-1-one derivatives as positive allosteric modulators of dopamine D1 receptor 伊莱利利公司 2023-08-15 CN disclosed
EP-4200280-A1 PHENYL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL-ETHAN-1-ONE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS ELI LILLY AND COMPANY (US) 2023-06-28 EP disclosed
EP-3781560-B1 PYRAZO-TETRAHYDROISOQUINOLINE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE MODULATORS LILLY CO ELI (US) 2022-08-24 EP disclosed
WO-2022076418-A1 PHENYL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL-ETHAN-1-ONE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS ELI LILLY AND COMPANY (US) 2022-04-14 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-20230382869-A1 Phenyl-3,4-dihydroisoquinolin-2(1h)-yl-ethan-1-one derivatives as dopamine d1receptor positive allosteric modulators HTR1D, ADRA1D, HTR1A GAA 617/4885PDE5A 251/4885KDM4E 1750/4885
US-12503442-B2 Phenyl-3,4-dihydroisoquinolin-2(1h)-yl-ethan-1-one derivatives as dopamine d1receptor positive allosteric modulators HTR1D, ADRA1D, HTR1A GAA 617/4885PDE5A 251/4885KDM4E 1750/4885

“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.