SCHEMBL12529150

SCHEMBL12529150

CN(C)C1CCN(c2ccc(NC(=O)N3CCC(c4ccc(F)cc4)C(O)C3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MCHR1 Q99705 11/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ PANK3 Q9H999 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ NAMPT P43490 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
SCHEMBL12529145 0.88 MAPT (0.67) MAPTNPC1RAB9AMCHR1HRH3
SCHEMBL12528933 0.87 MCHR1 (0.61) MAPTNPC1RAB9AMCHR1HRH3
SCHEMBL12529018 0.85 CA12 (0.63) MAPTNPC1RAB9AMCHR1HRH3
SCHEMBL12528893 0.84 MCHR1 (0.50) MAPTMCHR1HRH3ALDH1A1
SCHEMBL12529097 0.82 CYP2C19 (0.62) MCHR1ALDH1A1POLBGLA
SCHEMBL1748916 0.80 HRH3 (0.58) MAPTNPC1RAB9AMCHR1HRH3
SCHEMBL12529144 0.78 MCHR1 (0.71) MAPTNPC1RAB9AMCHR1HRH3
SCHEMBL12530860 0.78 MCHR1 (0.76) NPC1RAB9AMCHR1
SCHEMBL12528831 0.78 ALDH1A1 (0.60) MAPTNPC1RAB9AMCHR1ALDH1A1
SCHEMBL12528934 0.78 MCHR1 (0.59) MAPTNPC1RAB9AMCHR1HRH3

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 4800/4885NPC1 1718/4885RAB9A 4386/4885

“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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