SCHEMBL1748760

SCHEMBL1748760

CN(C(=O)C1CCCN(C(=O)c2ccco2)C1)C1CCN(c2ccc(NC(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 9/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MCHR1 Q99705 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
LMNA P02545 2/20 0.40
NAMPT P43490 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 1/20 0.40

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 0.87 HRH3 (0.45) MCHR1HRH3NAMPT
SCHEMBL1749251 0.85 MCHR1 (0.45) GAAMCHR1HRH3LMNANAMPT
SCHEMBL12528258 0.84 USP30 (0.47) MCHR1HRH3
SCHEMBL1750271 0.83 MCHR1 (0.44) ALDH1A1MAPTMAPK1MCHR1HRH3
SCHEMBL1750690 0.79 MCHR1 (0.56) ALDH1A1MAPTMCHR1HRH3NAMPT
SCHEMBL2636754 0.79 MCHR1 (0.56) ALDH1A1MAPTMCHR1HRH3NAMPT
SCHEMBL1750689 0.79 MCHR1 (0.51) ALDH1A1MAPTMCHR1HRH3NAMPT
SCHEMBL1749256 0.79 MCHR1 (0.56) ALDH1A1MAPTMCHR1HRH3NAMPT
SCHEMBL1750081 0.79 MCHR1 (0.44) ALDH1A1MCHR1HRH3NAMPT
SCHEMBL1748996 0.77 MCHR1 (0.45) ALDH1A1MAPTMCHR1HRH3

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 ALDH1A1 374/4885MAPT 4800/4885MAPK1 745/4885

“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.