SCHEMBL1750591

SCHEMBL1750591

CC(=O)N(C)C1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4F)cc3)cc2)C1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.71
SETD2 Q9BYW2 2/20 0.52
NSD2 O96028 1/20 0.52
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
WDR5 P61964 1/20 0.47
MAPT P10636 2/20 0.46
KLKB1 P03952 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TSHR P16473 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
SCHEMBL1749569 0.94 MCHR1 (0.69) MCHR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL1750453 0.90 MCHR1 (0.83) MCHR1SETD2NSD2NPC1RAB9A
SCHEMBL1749190 0.90 MCHR1 (0.79) MCHR1SETD2NSD2HRH3
SCHEMBL14502070 0.88 MCHR1 (0.66) MCHR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL1750163 0.84 MCHR1 (0.69) MCHR1SETD2NSD2NPC1RAB9A
SCHEMBL1749079 0.84 MCHR1 (0.81) MCHR1
SCHEMBL12529162 0.83 MCHR1 (1.00) MCHR1MAPT
SCHEMBL12529176 0.83 MCHR1 (0.84) MCHR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL1749061 0.83 NPC1 (0.59) MCHR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL12529179 0.83 MCHR1 (0.80) MCHR1SETD2NSD2HRH3

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-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-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 2068/4885SETD2 4145/4885NSD2 2066/4885

“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.