SCHEMBL1749755

SCHEMBL1749755

CC(=O)N(C)C1CCN(c2ccc(NC(=O)C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
KMT2A Q03164 2/20 0.54
MCHR1 Q99705 3/20 0.54
MAPT P10636 4/20 0.54
ROCK1 Q13464 1/20 0.54
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.48
EPHX2 P34913 1/20 0.48
MEN1 O00255 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
ME3 Q16798 1/20 0.47
F10 P00742 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45

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 0.88 MCHR1 (0.54) KMT2AMCHR1MAPTLMNAMEN1
SCHEMBL1748971 0.88 MCHR1 (0.54) KMT2AMCHR1MAPTLMNAMEN1
SCHEMBL1750090 0.85 MCHR1 (0.58) MCHR1MAPTHRH3ME3ALDH1A1
SCHEMBL14167563 0.84 MAPT (0.59) KMT2AMAPTLMNAMEN1ALDH1A1
SCHEMBL1749643 0.79 MAPT (0.53) KMT2AMCHR1MAPTLMNAMEN1
SCHEMBL1749642 0.79 MAPT (0.53) KMT2AMCHR1MAPTLMNAMEN1
SCHEMBL1749899 0.79 MAPT (0.48) KMT2AMAPTLMNAMEN1ALDH1A1
SCHEMBL12528125 0.77 MCHR1 (0.85) MCHR1MAPTHRH3
SCHEMBL12528708 0.77 MCHR1 (0.55) KMT2AMCHR1MAPTLMNAMEN1
SCHEMBL6227011 0.77 MCHR1 (0.65) MCHR1HRH3

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 3 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

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 NAMPT 222/4885KMT2A 4320/4885MCHR1 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.