SCHEMBL1749124

SCHEMBL1749124

CN(C(=O)c1cccnc1)C1CCN(c2ccc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
MCHR1 Q99705 12/20 0.50
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
GFER P55789 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
SCHEMBL1749343 0.91 HRH3 (0.59) HRH3NPC1MAPTSMN1; SMN2MCHR1
SCHEMBL1750084 0.90 HRH3 (0.54) HRH3MAPTMCHR1CCNCCDK8
SCHEMBL1749046 0.88 CCNC (0.54) HRH3NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1750000 0.87 HRH3 (0.51) HRH3NPC1MAPTRAB9AMCHR1
SCHEMBL12528858 0.86 MCHR1 (0.54) HRH3NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1749148 0.85 MCHR1 (0.55) HRH3NPC1MAPTSMN1; SMN2MCHR1
SCHEMBL1749807 0.84 HRH3 (0.49) HRH3NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1749810 0.84 HRH3 (0.49) HRH3NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1750682 0.84 MCHR1 (0.65) HRH3NPC1MAPTSMN1; SMN2MCHR1
SCHEMBL1748785 0.84 MCHR1 (0.65) HRH3NPC1MAPTSMN1; SMN2MCHR1

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 HRH3 748/4885NPC1 1718/4885MAPT 4800/4885

“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.