SCHEMBL12528987

SCHEMBL12528987

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.66
▸ MAPT P10636 5/20 0.66
▸ HTT P42858 3/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ GAA P10253 2/20 0.66
▸ HSD17B10 Q99714 3/20 0.65
▸ MAPK1 P28482 1/20 0.58
▸ POLB P06746 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ TRPV1 Q8NER1 1/20 0.52
▸ MCHR1 Q99705 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NOTUM Q6P988 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ KDM4E B2RXH2 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
SCHEMBL12529031 0.90 TRPV1 (0.58) LMNAMAPTHTTSMN1; SMN2GAA
SCHEMBL12529022 0.87 CA12 (0.65) LMNAMAPTHTTSMN1; SMN2GAA
SCHEMBL12529009 0.87 MAPT (0.62) LMNAMAPTHTTSMN1; SMN2POLB
SCHEMBL12528993 0.87 MCHR1 (0.65) MAPTHTTMAPK1POLBUSP2
SCHEMBL12529041 0.86 CA12 (0.61) LMNAMAPTSMN1; SMN2GAAHSD17B10
SCHEMBL12529049 0.84 NOTUM (0.56) LMNAMAPTSMN1; SMN2POLBTP53
SCHEMBL12529018 0.84 CA12 (0.63) MAPTSMN1; SMN2POLBMCHR1HRH3
SCHEMBL12529069 0.83 MCHR1 (0.53) MAPTSMN1; SMN2GAAPOLBTP53
SCHEMBL12528893 0.83 MCHR1 (0.50) LMNAMAPTHTTSMN1; SMN2GAA
SCHEMBL12528808 0.83 MCHR1 (0.56) MAPTSMN1; SMN2POLBMCHR1HRH3

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 5 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

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 LMNA 2573/4885MAPT 4800/4885HTT 1798/4885

“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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