SCHEMBL12529125

SCHEMBL12529125

COC(=O)c1ccccc1C1CCN(C(=O)Nc2ccc(N3CCC(N(C)C)C3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 13/20 0.53
▸ RBP4 P02753 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL12528940 0.87 TRPV1 (0.63) MCHR1TRPV1HRH3NAMPTMAPT
SCHEMBL12528937 0.86 MCHR1 (0.56) MCHR1TRPV1HRH3NAMPT
SCHEMBL12528950 0.83 MCHR1 (0.74) MCHR1HRH3NAMPTMAPT
SCHEMBL12529122 0.83 MCHR1 (0.58) MCHR1HRH3NAMPTMAPT
SCHEMBL1750297 0.81 MCHR1 (0.55) MCHR1RBP4TRPV1HRH3NAMPT
SCHEMBL12528878 0.80 MCHR1 (0.59) MCHR1MAPTKMT2A
SCHEMBL12529135 0.80 MCHR1 (0.52) MCHR1TRPV1HRH3NAMPT
SCHEMBL12529134 0.80 CCR2 (0.56) MCHR1KDM4E
SCHEMBL12528993 0.80 MCHR1 (0.65) MCHR1HRH3NAMPTMAPTMAPK1
SCHEMBL12528942 0.79 NAMPT (0.65) MCHR1HRH3NAMPT

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 2068/4885RBP4 4398/4885TRPV1 649/4885

“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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