SCHEMBL1749362

SCHEMBL1749362

CC(=O)N(C)C1CCN(c2ccc(NC(=O)N3CCC(Oc4ccc(C)cc4)CC3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
NAMPT P43490 7/20 0.52
MCHR1 Q99705 1/20 0.52
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.45
ACACB O00763 4/20 0.45
EPHX2 P34913 1/20 0.45
CHRNA7 P36544 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43

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
SCHEMBL12528977 0.91 NAMPT (0.63) HRH3NAMPTMCHR1
SCHEMBL1749301 0.85 HRH3 (0.58) HRH3NAMPTMCHR1MAPTTSHR
SCHEMBL12528942 0.83 NAMPT (0.65) HRH3NAMPTMCHR1
SCHEMBL1749256 0.83 MCHR1 (0.56) HRH3NAMPTMCHR1MAPTACACB
SCHEMBL2636754 0.83 MCHR1 (0.56) HRH3NAMPTMCHR1MAPTACACB
SCHEMBL1750690 0.83 MCHR1 (0.56) HRH3NAMPTMCHR1MAPTACACB
SCHEMBL1749735 0.83 MCHR1 (0.54) HRH3NAMPTMCHR1EPHX2
SCHEMBL12529137 0.82 NAMPT (0.51) HRH3NAMPTMCHR1MAPTEPHX2
SCHEMBL1749057 0.81 HRH3 (0.56) HRH3MCHR1MAPTGRIN2B
SCHEMBL1749223 0.81 MCHR1 (0.69) HRH3MCHR1MAPTACACB

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 HRH3 748/4885NAMPT 222/4885MCHR1 2068/4885

“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.