SCHEMBL1749513

SCHEMBL1749513

CC(=O)N(C)C1CN(c2ccc(N)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 6/20 0.49
CASP6 P55212 1/20 0.49
MCHR1 Q99705 3/20 0.44
MAP4K4 O95819 1/20 0.42
MAPT P10636 8/20 0.40
ALDH1A1 P00352 7/20 0.40
GAA P10253 6/20 0.40
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 3/20 0.40
ADRA2C P18825 1/20 0.40
PTK2B Q14289 1/20 0.40
ESR2 Q92731 1/20 0.40
SYK P43405 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL1749414 0.88 MCHR1 (0.58) GFERCASP6MCHR1MAP4K4SYK
SCHEMBL1750857 0.88 MCHR1 (0.58) GFERCASP6MCHR1MAP4K4SYK
SCHEMBL1750259 0.88 MCHR1 (0.58) GFERCASP6MCHR1MAP4K4SYK
SCHEMBL1749413 0.87 GFER (0.45) GFERCASP6MCHR1MAPTALDH1A1
SCHEMBL4297952 0.86 MCHR1 (0.50) GFERCASP6MCHR1MAP4K4MAPT
SCHEMBL7287775 0.84 GFER (0.54) GFERCASP6MCHR1MAP4K4MAPT
SCHEMBL2636741 0.84 MCHR1 (0.48) MCHR1MAP4K4MAPTALDH1A1KMT2A
SCHEMBL1749320 0.82 GFER (0.44) GFERCASP6MCHR1MAP4K4MAPT
SCHEMBL27624495 0.80 CASP6 (0.39) GFERCASP6MAPTALDH1A1LMNA
SCHEMBL189433 0.79 MAPT (0.47) GFERCASP6MCHR1MAP4K4MAPT

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 8 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
CN-100506792-C Substituted N-aryl heterocycles, method for the production thereof and their use as medicaments AVENTIS PHARMA GMBH (DE) 2009-07-01 CN 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
CN-1774418-A Substituted N-arylheterocycles, method for production and use thereof as medicaments AVENTIS PHARMA GMBH (DE) 2006-05-17 CN 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 GFER 823/4885CASP6 2626/4885MCHR1 1838/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 GFER 637/4885CASP6 2272/4885MCHR1 2068/4885

“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.