SCHEMBL1749073

SCHEMBL1749073

CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CCN(c2ccc(NC(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.44
HRH3 Q9Y5N1 2/20 0.44
MCHR1 Q99705 5/20 0.44
CCR1 P32246 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1749718 1.00 ACACB (0.44) ACACBHRH3MCHR1CCR1MAPT
SCHEMBL2636842 0.93 HRH3 (0.46) ACACBHRH3MCHR1CCR1MAPT
SCHEMBL2637268 0.93 HRH3 (0.46) ACACBHRH3MCHR1CCR1MAPT
SCHEMBL1749480 0.91 HRH3 (0.42) ACACBHRH3MCHR1CCR1MAPT
SCHEMBL1750045 0.90 HRH3 (0.42) ACACBHRH3MCHR1CCR1MAPT
SCHEMBL12528238 0.89 HRH3 (0.57) HRH3MCHR1MAPT
SCHEMBL1748731 0.89 HRH3 (0.57) HRH3MCHR1MAPT
SCHEMBL1750070 0.87 ALDH1A1 (0.42) ACACBHRH3MCHR1CCR1
SCHEMBL1750690 0.87 MCHR1 (0.56) ACACBHRH3MCHR1MAPT
SCHEMBL2636754 0.87 MCHR1 (0.56) ACACBHRH3MCHR1MAPT

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 ACACB 3866/4885HRH3 748/4885MCHR1 2068/4885

“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.