SCHEMBL1749538

SCHEMBL1749538

CC(=O)CNC1CCN(c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.60
HRH3 Q9Y5N1 1/20 0.55
MAPT P10636 5/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
GALR3 O60755 1/20 0.49
NR2F2 P24468 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PGR P06401 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NAMPT P43490 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 1/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 2/20 0.47
NR4A1 P22736 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL1749100 0.92 MCHR1 (0.52) MCHR1HRH3MAPTKDM4EALDH1A1
SCHEMBL1750162 0.91 MCHR1 (0.52) MCHR1HRH3MAPTKDM4EALDH1A1
SCHEMBL1749380 0.91 HDAC1 (0.54) MCHR1HRH3MAPTALDH1A1NPC1
SCHEMBL1749126 0.89 MAPT (0.65) MCHR1MAPTKDM4EALDH1A1NPC1
SCHEMBL1749502 0.87 NPC1 (0.55) MCHR1HRH3MAPTKDM4EALDH1A1
SCHEMBL1749222 0.86 MCHR1 (0.52) MCHR1HRH3MAPTKDM4EALDH1A1
SCHEMBL1749171 0.86 MAPT (0.63) MCHR1MAPTKDM4EALDH1A1NPC1
SCHEMBL1749244 0.86 MAPT (0.63) MCHR1MAPTKDM4EALDH1A1NPC1
SCHEMBL1749775 0.86 MCHR1 (0.59) MCHR1MAPTKDM4ENPC1SMN1; SMN2
SCHEMBL1748977 0.85 MCHR1 (0.51) MCHR1MAPTKDM4EALDH1A1NPC1

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 1838/4885HRH3 748/4885MAPT 4824/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MCHR1 2068/4885HRH3 748/4885MAPT 4800/4885

“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.