SCHEMBL1750271

SCHEMBL1750271

CN1CCCC(C(=O)N(C)C2CCN(c3ccc(NC(=O)Nc4ccc(OC5CCCC5)cc4)cc3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.44
HRH3 Q9Y5N1 3/20 0.43
ACACB O00763 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1748755 0.90 HRH3 (0.45) MCHR1HRH3ACACB
SCHEMBL12528258 0.87 USP30 (0.47) MCHR1HRH3ACACB
SCHEMBL1748996 0.86 MCHR1 (0.45) MCHR1HRH3ACACBMAPTALDH1A1
SCHEMBL1749256 0.86 MCHR1 (0.56) MCHR1HRH3ACACBMAPTALDH1A1
SCHEMBL1750690 0.86 MCHR1 (0.56) MCHR1HRH3ACACBMAPTALDH1A1
SCHEMBL2636754 0.86 MCHR1 (0.56) MCHR1HRH3ACACBMAPTALDH1A1
SCHEMBL1750689 0.86 MCHR1 (0.51) MCHR1HRH3ACACBMAPTALDH1A1
SCHEMBL12528860 0.85 MCHR1 (0.54) MCHR1HRH3ACACBMAPTALDH1A1
SCHEMBL1750081 0.84 MCHR1 (0.44) MCHR1HRH3ACACBALDH1A1HPGD
SCHEMBL1748760 0.83 ALDH1A1 (0.44) MCHR1HRH3MAPTALDH1A1LMNA

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 MCHR1 2068/4885HRH3 748/4885ACACB 3866/4885

“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.