SCHEMBL1749057

SCHEMBL1749057

COc1ccc(C2CCN(C(=O)Nc3ccc(N4CCC(N(C)C(C)=O)C4)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
MCHR1 Q99705 5/20 0.52
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
BLM P54132 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
PTPN7 P35236 1/20 0.48
GRIN2B Q13224 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL12528878 0.92 MCHR1 (0.59) MCHR1MAPTSMN1; SMN2BLMCA12
SCHEMBL1749301 0.89 HRH3 (0.58) HRH3MCHR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1749040 0.89 HRH3 (0.53) HRH3MCHR1MAPTSMN1; SMN2CA12
SCHEMBL1749035 0.89 MCHR1 (0.64) HRH3MCHR1MAPTSMN1; SMN2CA12
SCHEMBL1748916 0.89 HRH3 (0.58) HRH3MCHR1MAPTSMN1; SMN2CA12
SCHEMBL1749685 0.88 MCHR1 (0.63) HRH3MCHR1MAPTSMN1; SMN2
SCHEMBL1749474 0.87 HRH3 (0.56) HRH3MCHR1MAPT
SCHEMBL1749261 0.85 MCHR1 (0.55) HRH3MCHR1SMN1; SMN2
SCHEMBL1750297 0.83 MCHR1 (0.55) HRH3MCHR1MAPTMEN1KMT2A
SCHEMBL1748965 0.82 MCHR1 (0.58) HRH3MCHR1MAPTSMN1; SMN2CA12

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 748/4885MCHR1 2068/4885MAPT 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.