SCHEMBL1749676

SCHEMBL1749676

CC(=O)CNC1CCN(c2ccc(NC(=O)/C=C\c3ccc(C(C)C)cc3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
MAPK1 P28482 4/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
EGFR P00533 1/20 0.50
LMNA P02545 6/20 0.47
TRPV1 Q8NER1 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
PANK3 Q9H999 1/20 0.40

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
SCHEMBL1749681 1.00 MAPT (0.53) MAPTMAPK1ALDH1A1GAAEGFR
SCHEMBL1749678 0.81 MAPT (0.52) MAPTMAPK1ALDH1A1GAAEGFR
SCHEMBL12528126 0.81 MAPT (0.52) MAPTMAPK1ALDH1A1GAAEGFR
SCHEMBL12529206 0.81 MAPT (0.54) MAPTMAPK1ALDH1A1GAAEGFR
SCHEMBL1749172 0.80 GAA (0.54) MAPTMAPK1ALDH1A1GAALMNA
SCHEMBL1749179 0.77 MAPT (0.47) MAPTALDH1A1GAASMN1; SMN2
SCHEMBL2636503 0.75 MCHR1 (0.46) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL1748924 0.75 MAPT (0.37) MAPTMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL1748926 0.75 MAPT (0.37) MAPTMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL2636329 0.75 GFER (0.47) MAPTALDH1A1GAALMNASMN1; SMN2

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-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
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO 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 (2 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 MAPT 4824/4885MAPK1 496/4885ALDH1A1 286/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885MAPK1 745/4885ALDH1A1 374/4885

“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.