SCHEMBL12528771

SCHEMBL12528771

CN(C)[C@@H]1CCN(c2ccc(NC(=O)N3CCN(CC4CCCCC4)CC3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 7/20 0.52
▸ KCNH2 Q12809 5/20 0.52
▸ THRB P10828 2/20 0.52
▸ NAMPT P43490 1/20 0.52
▸ MCHR1 Q99705 7/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HPGDS O60760 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL14501543 0.85 HRH3 (0.54) NAMPTMCHR1HRH3
SCHEMBL12528761 0.82 MCHR1 (0.61) MCHR1MAPT
SCHEMBL12529024 0.82 MCHR1 (0.61) MCHR1MAPT
SCHEMBL12529050 0.81 MCHR1 (0.59) MCHR1MAPT
SCHEMBL12529027 0.81 MAPT (0.62) MCHR1MAPTTP53HRH3
SCHEMBL12528993 0.81 MCHR1 (0.65) NAMPTMCHR1MAPTHRH3
SCHEMBL12528808 0.81 MCHR1 (0.56) MCHR1MAPTHRH3
SCHEMBL12529086 0.80 MCHR1 (0.52) MCHR1
SCHEMBL12529014 0.80 MCHR1 (0.65) NAMPTMCHR1MAPTHRH3
SCHEMBL12529018 0.80 CA12 (0.63) NAMPTMCHR1MAPTHRH3

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 CCR2 3205/4885KCNH2 679/4885THRB 4200/4885

“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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