SCHEMBL1749301

SCHEMBL1749301

CC(=O)N(C)C1CCN(c2ccc(NC(=O)N3CCC(c4ccc(C)cc4)CC3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.58
MAPT P10636 6/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
TP53 P04637 3/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MCHR1 Q99705 4/20 0.54
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
NAMPT P43490 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL12528889 0.92 MCHR1 (0.62) HRH3MAPTNPC1RAB9ATP53
SCHEMBL1749035 0.91 MCHR1 (0.64) HRH3MAPTNPC1RAB9ATP53
SCHEMBL1748916 0.91 HRH3 (0.58) HRH3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1749685 0.91 MCHR1 (0.63) HRH3MAPTNPC1RAB9ATP53
SCHEMBL1749474 0.89 HRH3 (0.56) HRH3MAPTNPC1RAB9AMCHR1
SCHEMBL1749057 0.89 HRH3 (0.56) HRH3MAPTSMN1; SMN2MCHR1ALDH1A1
SCHEMBL1749261 0.86 MCHR1 (0.55) HRH3NPC1RAB9ATP53TSHR
SCHEMBL1749362 0.85 HRH3 (0.56) HRH3MAPTTSHRMCHR1NAMPT
SCHEMBL1748965 0.85 MCHR1 (0.58) HRH3MAPTNPC1RAB9ATP53
SCHEMBL1750525 0.85 HRH3 (0.55) HRH3MAPTNPC1RAB9ATP53

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 748/4885MAPT 4800/4885NPC1 1718/4885

“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.