SCHEMBL1727554

SCHEMBL1727554

CN(C)CCOc1ccc(-n2ccn(-c3ccc(OCC4CC4)cc3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.49
MAPK14 Q16539 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HRH3 Q9Y5N1 2/20 0.41
LTA4H P09960 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL1729072 0.95 MCHR1 (0.47) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1728609 0.94 MCHR1 (0.47) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1728662 0.85 MCHR1 (0.47) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1727580 0.83 LMNA (0.46) MCHR1MAPK14
SCHEMBL1728688 0.83 LSS (0.48) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL6081903 0.83 MCHR1 (0.54) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL6080985 0.83 MCHR1 (0.54) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL6081522 0.83 ALDH1A1 (0.55) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL6081681 0.82 HTR2A (0.47) MCHR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1728689 0.82 MCHR1 (0.43) MCHR1MAPK14CYP1A2CYP2D6CYP2C9

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
EP-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
US-7141561-B2 Substituted diaryl heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-28 US disclosed
EP-1551810-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT Aventis Pharma Deutschland GmbH (DE) 2005-07-13 EP disclosed
US-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 US disclosed
WO-2004012648-A2 SUBSTITUTED DIARYL HETEROCYCLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 WO disclosed
WO-2004011438-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-05 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 (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-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments GPR119, GLP1R, SLC5A2 MCHR1 1462/4885MAPK14 1122/4885CYP1A2 365/4885

“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.