SCHEMBL1749043

SCHEMBL1749043

CNC1CCN(c2ccc(NC(=O)Nc3ccc(OC4CCCC4)nc3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.48
ACACB O00763 2/20 0.46
KCNH2 Q12809 1/20 0.45
NAMPT P43490 8/20 0.44
FLT3 P36888 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
DDX3X O00571 1/20 0.41
HRH4 Q9H3N8 2/20 0.41

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
SCHEMBL12532336 0.89 PIK3R1 (0.43) MCHR1ACACBKCNH2NAMPTFLT3
SCHEMBL1749667 0.86 MCHR1 (0.53) MCHR1ACACBNAMPTHRH3
SCHEMBL1749019 0.86 MCHR1 (0.53) MCHR1ACACBNAMPTHRH3
SCHEMBL12531850 0.84 ACACB (0.46) MCHR1ACACBNAMPTFLT3SAE1
SCHEMBL12531877 0.84 ACACB (0.46) MCHR1ACACBNAMPTFLT3SAE1
SCHEMBL1750079 0.84 MCHR1 (0.51) MCHR1ACACBNAMPTFLT3HRH3
SCHEMBL12532303 0.83 MCHR1 (0.55) MCHR1ACACBKCNH2HRH3
SCHEMBL12531866 0.83 MCHR1 (0.47) MCHR1ACACBNAMPTFLT3HRH3
SCHEMBL12531849 0.82 ACACB (0.47) MCHR1ACACBNAMPTFLT3
SCHEMBL12531854 0.81 MCHR1 (0.43) MCHR1ACACBNAMPTFLT3

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 10 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
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

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 1838/4885ACACB 4048/4885KCNH2 611/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MCHR1 2068/4885ACACB 3866/4885KCNH2 679/4885

“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.