SCHEMBL12528806

SCHEMBL12528806

Cc1cccc(C)c1N1CCN(C(=O)Nc2ccc(N3CCC(N(C)C)C3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 12/20 0.55
▸ MAPT P10636 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HRH3 Q9Y5N1 5/20 0.49
▸ NAMPT P43490 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
SCHEMBL12529020 0.89 MCHR1 (0.57) MCHR1MAPTNPC1RAB9AHRH3
SCHEMBL12528993 0.87 MCHR1 (0.65) MCHR1MAPTHTTHRH3NAMPT
SCHEMBL12529027 0.87 MAPT (0.62) MCHR1MAPTNPC1RAB9AHRH3
SCHEMBL12529022 0.86 CA12 (0.65) MCHR1MAPTNPC1HTTHRH3
SCHEMBL12529069 0.85 MCHR1 (0.53) MCHR1MAPTNPC1RAB9AHRH3
SCHEMBL12528808 0.85 MCHR1 (0.56) MCHR1MAPTNPC1RAB9AHRH3
SCHEMBL12529092 0.84 MCHR1 (0.52) MCHR1MAPTHRH3
SCHEMBL12529018 0.84 CA12 (0.63) MCHR1MAPTNPC1RAB9AHRH3
SCHEMBL12529014 0.84 MCHR1 (0.65) MCHR1MAPTHRH3NAMPT
SCHEMBL12529009 0.84 MAPT (0.62) MCHR1MAPTNPC1HTTRAB9A

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 2068/4885MAPT 4800/4885NPC1 1718/4885

“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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