Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4845924

CNCC[C@H](Oc1ccc(C)c2sncc12)c1ccccc1.Cl

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
SLC6A2 known ✓ P23975 13/20 0.59
SLC6A4 known ✓ P31645 14/20 0.57
SLC6A3 known ✓ Q01959 3/20 0.57
CHRM1 known ✓ P11229 2/20 0.57
ADRA2B known ✓ P18089 2/20 0.57
HTR2A known ✓ P28223 2/20 0.57
HTR2C known ✓ P28335 2/20 0.57
HRH1 known ✓ P35367 2/20 0.57
OPRM1 known ✓ P35372 2/20 0.57
DRD3 known ✓ P35462 2/20 0.57
OPRK1 known ✓ P41145 2/20 0.57
HTR2B known ✓ P41595 2/20 0.57
KCNH2 known ✓ Q12809 2/20 0.57
HRH3 known ✓ Q9Y5N1 2/20 0.57
CYP1A2 P05177 4/20 0.57
CYP3A4 P08684 4/20 0.57
CYP2D6 P10635 4/20 0.57
TSHR P16473 3/20 0.57
KLF10 Q13118 2/20 0.57
PMP22 Q01453 2/20 0.57

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 SCHEMBL4845931 1.00 SLC6A2 (0.59) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4849616 1.00 SLC6A2 (0.59) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL14085615 0.99 SLC6A4 (0.58) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL14085617 0.99 SLC6A4 (0.58) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4849564 0.82 SLC6A2 (0.62) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4849556 0.82 SLC6A2 (0.62) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL14085612 0.81 SLC6A2 (0.64) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4853013 0.80 SLC6A2 (0.62) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4853001 0.80 SLC6A2 (0.62) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4852993 0.80 SLC6A2 (0.62) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6

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-7410982-B2 Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
EP-1567501-B1 PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20060058360-A1 Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2006-03-16 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 (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-20060058360-A1 Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors ADRB3, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A4 4/4885SLC6A3 3/4885

“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.