SCHEMBL1751085

SCHEMBL1751085

CC(=O)CNC1CCN(c2ccc(NC(=O)Cc3ccc(O)cc3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MCL1 Q07820 1/20 0.53
MCHR1 Q99705 2/20 0.52
ME3 Q16798 1/20 0.52
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NR4A1 P22736 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
NAMPT P43490 1/20 0.42
CASR P41180 1/20 0.41

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
SCHEMBL1750755 0.89 MCHR1 (0.68) NPC1RAB9AMCL1MCHR1ME3
SCHEMBL1749074 0.89 NPC1 (0.50) NPC1RAB9AMCL1MCHR1MAPT
SCHEMBL1749800 0.88 MCHR1 (0.56) NPC1RAB9AMCL1MCHR1MAPT
SCHEMBL1749502 0.86 NPC1 (0.55) NPC1RAB9AMCL1MCHR1ME3
SCHEMBL1749465 0.86 RAB9A (0.55) NPC1RAB9AMCL1MCHR1ME3
SCHEMBL1749177 0.86 MAPT (0.49) NPC1RAB9AMCL1MCHR1MAPT
SCHEMBL1749023 0.86 MAPT (0.49) NPC1RAB9AMCL1MCHR1MAPT
SCHEMBL1749574 0.85 MCHR1 (0.47) NPC1RAB9AMCL1MCHR1MAPT
SCHEMBL1749208 0.84 ALDH1A1 (0.54) NPC1RAB9AMCL1MCHR1MAPT
SCHEMBL1749179 0.82 MAPT (0.47) MCHR1ME3MAPTALDH1A1SMN1; SMN2

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-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
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO 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 (2 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 NPC1 1504/4885RAB9A 4319/4885MCL1 1915/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 NPC1 1718/4885RAB9A 4386/4885MCL1 2216/4885

“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.