SCHEMBL1748971

SCHEMBL1748971

CC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.54
MAPT P10636 9/20 0.53
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 1/20 0.52
SIRT6 Q8N6T7 1/20 0.47
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
LMNA P02545 2/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1749521 1.00 MCHR1 (0.54) MCHR1MAPTALDH1A1MAPK1SIRT6
SCHEMBL14167563 0.92 MAPT (0.59) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL1749642 0.90 MAPT (0.53) MCHR1MAPTALDH1A1MAPK1SIRT6
SCHEMBL1749643 0.90 MAPT (0.53) MCHR1MAPTALDH1A1MAPK1SIRT6
SCHEMBL1749899 0.89 MAPT (0.48) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL1749755 0.88 NAMPT (0.55) MCHR1MAPTALDH1A1MAPK1HRH3
SCHEMBL1750267 0.85 MAPT (0.49) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL1750266 0.85 MAPT (0.49) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL25046030 0.85 MAPT (0.53) MCHR1MAPTALDH1A1MAPK1SIRT6
SCHEMBL4297250 0.85 MAPT (0.53) MCHR1MAPTALDH1A1MAPK1SIRT6

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 MCHR1 1838/4885MAPT 4824/4885ALDH1A1 286/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MCHR1 2068/4885MAPT 4800/4885ALDH1A1 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.