SCHEMBL12530331

SCHEMBL12530331

CCCCOc1ccc(C(=O)N(C)c2ccc(N3CCC(N(C)C(=O)CN(C)C)C3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
HTR2A P28223 2/20 0.40
HPGD P15428 2/20 0.39
ACACB O00763 3/20 0.38
MCHR1 Q99705 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL12532134 0.90 HRH3 (0.49) HRH3HTR2AHPGDACACBMCHR1
SCHEMBL14501958 0.88 HRH3 (0.47) HRH3HTR2AHPGDACACBSMN1; SMN2
SCHEMBL12532054 0.87 ACACB (0.41) HRH3HTR2AHPGDACACBMCHR1
SCHEMBL12532163 0.87 GPR119 (0.41) HRH3HTR2AHPGDACACBMCHR1
SCHEMBL12532074 0.87 HRH3 (0.39) HRH3HTR2AHPGDACACBMCHR1
SCHEMBL1749570 0.86 HRH3 (0.44) HRH3HPGDMCHR1SMN1; SMN2RAB9A
SCHEMBL1749568 0.86 HRH3 (0.44) HRH3HPGDMCHR1SMN1; SMN2RAB9A
SCHEMBL12531195 0.86 HRH3 (0.47) HRH3HPGDACACBMCHR1SMN1; SMN2
SCHEMBL12532096 0.86 ALDH1A1 (0.43) HRH3HTR2AHPGDACACBMCHR1
SCHEMBL12531076 0.86 ACACB (0.44) HRH3HTR2AHPGDACACBMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 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-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 HRH3 748/4885HTR2A 2123/4885HPGD 13/4885

“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.