SCHEMBL12528773

SCHEMBL12528773

CN(C)[C@@H]1CCN(c2ccc(NC(=O)N3CCCN(CCc4ccccc4)CC3)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 10/20 0.61
▸ ACHE P22303 1/20 0.56
▸ FAAH O00519 1/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.51
▸ CCR2 P41597 1/20 0.49
▸ HTR1A P08908 2/20 0.48
▸ DRD2 P14416 2/20 0.48
▸ MAPT P10636 1/20 0.46

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
SCHEMBL12529024 0.88 MCHR1 (0.61) MCHR1FAAHMAPT
SCHEMBL12528761 0.88 MCHR1 (0.61) MCHR1FAAHMAPT
SCHEMBL12528993 0.83 MCHR1 (0.65) MCHR1HRH3MAPT
SCHEMBL14501549 0.82 FAAH (0.65) MCHR1FAAHMAPT
SCHEMBL12528757 0.81 MCHR1 (0.64) MCHR1HRH3
SCHEMBL12528771 0.80 CCR2 (0.52) MCHR1HRH3CCR2MAPT
SCHEMBL12529050 0.79 MCHR1 (0.59) MCHR1FAAHMAPT
SCHEMBL12528950 0.79 MCHR1 (0.74) MCHR1HRH3MAPT
SCHEMBL12529086 0.79 MCHR1 (0.52) MCHR1FAAH
SCHEMBL12528808 0.77 MCHR1 (0.56) MCHR1HRH3MAPT

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 2068/4885ACHE 1736/4885FAAH 839/4885

“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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