SCHEMBL1749047

SCHEMBL1749047

CC(=O)CNC1CC(=O)N(c2ccc(N(C)C(=O)c3ccc(C4CCCCC4)cc3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 6/20 0.38
POLB P06746 2/20 0.38
HAO1 Q9UJM8 1/20 0.36
ALOX12 P18054 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL1749049 0.88 TP53 (0.43) MCHR1TP53MAPTLMNAPOLB
SCHEMBL1749581 0.83 MCHR1 (0.45) MCHR1HAO1HDAC8HDAC6
SCHEMBL1749048 0.81 MCHR1 (0.42) MCHR1TP53MAPTPOLBALOX12
SCHEMBL1749453 0.81 CA12 (0.45) MCHR1MAPTPOLBALOX12
SCHEMBL6206173 0.79 MCHR1 (0.43) MCHR1TP53MAPTHAO1ALOX12
SCHEMBL1750792 0.74 MCHR1 (0.44) MCHR1TP53HAO1HDAC8HDAC6
SCHEMBL1749537 0.74 MCHR1 (0.45) MCHR1HAO1HDAC8HDAC6
SCHEMBL1749476 0.74 MCHR1 (0.46) MCHR1HAO1HDAC8HDAC6
SCHEMBL1749247 0.73 MCHR1 (0.44) MCHR1HDAC8HDAC6
SCHEMBL1749583 0.72 MCHR1 (0.44) MCHR1HAO1HDAC8HDAC6

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 MCHR1 1838/4885TP53 4123/4885MAPT 4824/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MCHR1 2068/4885TP53 4172/4885MAPT 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.