SCHEMBL1749271

SCHEMBL1749271

COc1cccc(Oc2ccc(NC(=O)Nc3ccc(N4CCC(N(C)C(C)=O)C4)cc3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.54
MTNR1B P49286 6/20 0.53
MTNR1A P48039 4/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MCL1 Q07820 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
RAF1 P04049 2/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
PGR P06401 1/20 0.46

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
SCHEMBL12528848 0.92 MCHR1 (0.61) MCHR1MTNR1BMTNR1AMAPTALDH1A1
SCHEMBL1749714 0.91 MCHR1 (0.54) MCHR1MAPTALDH1A1MCL1TDP1
SCHEMBL1748785 0.90 MCHR1 (0.65) MCHR1MAPTALDH1A1MCL1TDP1
SCHEMBL1750118 0.90 MCHR1 (0.65) MCHR1MAPTALDH1A1MCL1TDP1
SCHEMBL1750682 0.90 MCHR1 (0.65) MCHR1MAPTALDH1A1MCL1TDP1
SCHEMBL1748913 0.90 MCHR1 (0.53) MCHR1MAPTALDH1A1MCL1TDP1
SCHEMBL1749464 0.88 MCHR1 (0.52) MCHR1HRH3RAF1CCNCCDK8
SCHEMBL1749461 0.86 MCHR1 (0.57) MCHR1MTNR1BMAPTALDH1A1MCL1
SCHEMBL1750101 0.85 MCHR1 (0.56) MCHR1MAPTALDH1A1MEN1KMT2A
SCHEMBL1750100 0.85 MCHR1 (0.56) MCHR1MAPTALDH1A1MEN1KMT2A

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 9 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-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-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-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-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
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
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 MCHR1 2068/4885MTNR1B 540/4885MTNR1A 511/4885

“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.