SCHEMBL12528893

SCHEMBL12528893

CN(C)C1CCN(c2ccc(NC(=O)N3CCC(c4cccc(C(F)(F)F)c4)C(O)C3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 10/20 0.50
▸ LMNA P02545 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ FPR1 P21462 1/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ GRIN2B Q13224 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL12529150 0.84 MAPT (0.51) MCHR1MAPTHRH3ALDH1A1
SCHEMBL12528987 0.83 LMNA (0.66) MCHR1LMNAMAPTGAASMN1; SMN2
SCHEMBL1749925 0.82 HRH3 (0.53) MCHR1LMNAMAPTGAASMN1; SMN2
SCHEMBL12528886 0.79 MCHR1 (0.59) MCHR1MAPTFPR1FPR2HRH3
SCHEMBL12529031 0.79 TRPV1 (0.58) MCHR1LMNAMAPTGAASMN1; SMN2
SCHEMBL12528934 0.78 MCHR1 (0.59) MCHR1MAPTHRH3
SCHEMBL12529129 0.77 MCHR1 (0.58) MCHR1LMNAMAPTSMN1; SMN2HTT
SCHEMBL12528950 0.77 MCHR1 (0.74) MCHR1LMNAMAPTSMN1; SMN2HTT
SCHEMBL12528938 0.77 MCHR1 (0.60) MCHR1MAPTSMN1; SMN2HTTHRH3
SCHEMBL12529251 0.75 MCHR1 (0.77) MCHR1FPR1FPR2

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 2068/4885LMNA 2573/4885MAPT 4800/4885

“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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