SCHEMBL1749801

SCHEMBL1749801

CC(=O)N(C)C1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccc(F)cc4)cc3)cc2)C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.71
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MCL1 Q07820 1/20 0.50
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
REV1 Q9UBZ9 1/20 0.46
MAPT P10636 1/20 0.45
NSD2 O96028 1/20 0.44
SETD2 Q9BYW2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 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
SCHEMBL12529280 0.92 MCHR1 (0.83) MCHR1NPC1RAB9AMCL1GAA
SCHEMBL1750756 0.91 MCHR1 (0.85) MCHR1NPC1RAB9AMCL1SMN1; SMN2
SCHEMBL1751087 0.88 MCHR1 (0.67) MCHR1NPC1RAB9AMCL1SMN1; SMN2
SCHEMBL1749075 0.85 MCHR1 (0.63) MCHR1NPC1RAB9AMCL1SMN1; SMN2
SCHEMBL1750453 0.85 MCHR1 (0.83) MCHR1NPC1RAB9ASMN1; SMN2HRH3
SCHEMBL12530214 0.83 MCHR1 (1.00) MCHR1NPC1RAB9AMCL1SMN1; SMN2
SCHEMBL1749504 0.83 MCHR1 (0.68) MCHR1NPC1RAB9AMCL1SMN1; SMN2
SCHEMBL1749178 0.82 MCHR1 (0.59) MCHR1NPC1RAB9AMCL1SMN1; SMN2
SCHEMBL12529198 0.82 MCHR1 (0.60) MCHR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1749024 0.82 MCHR1 (0.59) MCHR1NPC1RAB9AMCL1SMN1; SMN2

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 2068/4885NPC1 1718/4885RAB9A 4386/4885

“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.