SCHEMBL12529009

SCHEMBL12529009

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.62
▸ HTT P42858 1/20 0.62
▸ PANK3 Q9H999 1/20 0.62
▸ CA12 O43570 3/20 0.58
▸ CA2 P00918 3/20 0.58
▸ CA9 Q16790 3/20 0.58
▸ CA1 P00915 2/20 0.58
▸ MCHR1 Q99705 7/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL12529071 0.91 MCHR1 (0.57) MAPTHTTPANK3CA12CA2
SCHEMBL12529014 0.91 MCHR1 (0.65) MAPTPANK3CA12CA2CA9
SCHEMBL12529022 0.90 CA12 (0.65) MAPTHTTPANK3CA12CA2
SCHEMBL12528993 0.90 MCHR1 (0.65) MAPTHTTCA12CA2CA9
SCHEMBL12529055 0.89 MAPT (0.66) MAPTPANK3CA12CA2CA9
SCHEMBL12529041 0.88 CA12 (0.61) MAPTCA12CA2CA9CA1
SCHEMBL12528987 0.87 LMNA (0.66) MAPTHTTMCHR1HRH3SMN1; SMN2
SCHEMBL14415286 0.87 MCHR1 (0.56) MAPTHTTPANK3CA12CA2
SCHEMBL12529069 0.86 MCHR1 (0.53) MAPTCA12CA2CA9CA1
SCHEMBL12528808 0.85 MCHR1 (0.56) MAPTMCHR1HRH3SMN1; SMN2POLB

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 MAPT 4800/4885HTT 1798/4885PANK3 1201/4885

“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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