SCHEMBL1749430

SCHEMBL1749430

CC(=O)N(C)C1CCN(c2ccc(NC(=O)N3CCC(c4ccccc4F)CC3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 8/20 0.56
▸ HRH3 Q9Y5N1 5/20 0.56
▸ NAMPT P43490 2/20 0.51
▸ TRPV1 Q8NER1 1/20 0.50
▸ SETD2 Q9BYW2 2/20 0.45
▸ NSD2 O96028 1/20 0.43
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ GLA P06280 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
SCHEMBL12528937 0.92 MCHR1 (0.56) MCHR1HRH3NAMPTTRPV1GLA
SCHEMBL1750566 0.89 MCHR1 (0.55) MCHR1HRH3NAMPTTRPV1
SCHEMBL1749175 0.89 MCHR1 (0.56) MCHR1HRH3NAMPTTRPV1
SCHEMBL1750297 0.87 MCHR1 (0.55) MCHR1HRH3NAMPTTRPV1
SCHEMBL1749685 0.86 MCHR1 (0.63) MCHR1HRH3NAMPT
SCHEMBL1748916 0.85 HRH3 (0.58) MCHR1HRH3NAMPTSETD2NSD2
SCHEMBL1750525 0.84 HRH3 (0.55) MCHR1HRH3NAMPTSETD2NSD2
SCHEMBL1749539 0.83 MCHR1 (0.52) MCHR1HRH3TRPV1
SCHEMBL1749301 0.82 HRH3 (0.58) MCHR1HRH3NAMPT
SCHEMBL12528940 0.82 TRPV1 (0.63) MCHR1HRH3NAMPTTRPV1

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 MCHR1 2068/4885HRH3 748/4885NAMPT 222/4885

“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.

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