SCHEMBL1749173

SCHEMBL1749173

CCCCOc1ccc(C(=O)Nc2ccc(N3CCC(N(C)C(C)=O)C3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.68
MAPT P10636 7/20 0.64
ALDH1A1 P00352 4/20 0.64
HIF1A Q16665 1/20 0.64
HSD17B10 Q99714 3/20 0.64
TSHR P16473 3/20 0.64
HPGD P15428 1/20 0.64
TAAR1 Q96RJ0 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 2/20 0.60
LMNA P02545 1/20 0.60
USP2 O75604 1/20 0.59
KMT2A Q03164 2/20 0.57
ALOX15 P16050 1/20 0.57
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL12529169 0.98 MCHR1 (0.66) MCHR1MAPTALDH1A1HIF1AHSD17B10
SCHEMBL1749245 0.96 MCHR1 (0.68) MCHR1MAPTALDH1A1HIF1AHSD17B10
SCHEMBL12529202 0.92 MCHR1 (0.67) MCHR1MAPTALDH1A1HIF1AHSD17B10
SCHEMBL1749376 0.91 MCHR1 (0.55) MCHR1MAPTALDH1A1HIF1AHSD17B10
SCHEMBL1749193 0.91 MCHR1 (0.66) MCHR1MAPTALDH1A1HIF1AHSD17B10
SCHEMBL1749717 0.90 MCHR1 (0.77) MCHR1MAPTALDH1A1HIF1AHSD17B10
SCHEMBL12529341 0.89 MAPT (0.58) MCHR1MAPTALDH1A1HIF1AHSD17B10
SCHEMBL12529170 0.89 MCHR1 (0.64) MCHR1MAPTALDH1A1HIF1AHSD17B10
SCHEMBL1748915 0.88 MAPT (0.72) MCHR1MAPTALDH1A1HIF1AHSD17B10
SCHEMBL1748979 0.88 MCHR1 (0.67) MCHR1MAPTALDH1A1HIF1AHSD17B10

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 12 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-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-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
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 1838/4885MAPT 4824/4885ALDH1A1 286/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MCHR1 2068/4885MAPT 4800/4885ALDH1A1 374/4885

“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.