SCHEMBL1750100

SCHEMBL1750100

CC(=O)N(C)C1CCN(c2ccc(NC(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.56
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
HRH3 Q9Y5N1 2/20 0.51
SETD2 Q9BYW2 2/20 0.46
NSD2 O96028 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPY5R Q15761 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CCR5 P51681 1/20 0.43

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
SCHEMBL12528838 0.92 MCHR1 (0.59) MCHR1CCNCCDK8HRH3MAPT
SCHEMBL1750163 0.91 MCHR1 (0.69) MCHR1CCNCCDK8HRH3SETD2
SCHEMBL1750118 0.91 MCHR1 (0.65) MCHR1CCNCCDK8HRH3MAPT
SCHEMBL1750682 0.91 MCHR1 (0.65) MCHR1CCNCCDK8HRH3MAPT
SCHEMBL1748785 0.91 MCHR1 (0.65) MCHR1CCNCCDK8HRH3MAPT
SCHEMBL1750101 0.90 MCHR1 (0.56) MCHR1CCNCCDK8HRH3MAPT
SCHEMBL1749733 0.89 CCNC (0.57) MCHR1CCNCCDK8HRH3SETD2
SCHEMBL1749148 0.88 MCHR1 (0.55) MCHR1HRH3MAPTALDH1A1HTT
SCHEMBL1749721 0.86 MCHR1 (0.57) MCHR1CCNCCDK8HRH3SETD2
SCHEMBL1749461 0.86 MCHR1 (0.57) MCHR1CCNCCDK8HRH3MAPT

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 9 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-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-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
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 MCHR1 2068/4885CCNC 1374/4885CDK8 3611/4885

“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.