SCHEMBL14656123

SCHEMBL14656123

CN1CCCn2c1cc(OCCc1ccc(C(F)(F)F)cc1)nc2=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
MCHR1 Q99705 3/20 0.37
KCNH2 Q12809 1/20 0.37
PLA2G7 Q13093 2/20 0.35
ELOVL1 Q9BW60 4/20 0.35
ACHE P22303 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHKA P35790 1/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL14656602 0.89 PLA2G7 (0.44) GPR84MCHR1KCNH2PLA2G7
SCHEMBL14656332 0.86 GPR84 (0.44) GPR84KCNH2ELOVL1ACHECHRNA7
SCHEMBL14656372 0.85 GPR84 (0.48) GPR84ALOX5ACHECHRNA7
SCHEMBL14656213 0.83 GPR84 (0.39) GPR84KCNH2PLA2G7
SCHEMBL14656396 0.83 GPR84 (0.42) GPR84PTGESALOX5PPARGKCNH2
SCHEMBL14670105 0.83 SCN9A (0.44) KCNH2
SCHEMBL14656143 0.83 PLA2G7 (0.57) PLA2G7
SCHEMBL14656180 0.82 GPR84 (0.39) GPR84MCHR1PLA2G7ELOVL1ACHE
SCHEMBL14656134 0.82 MAOB (0.43) GPR84PLA2G7
SCHEMBL14656370 0.82 PLA2G7 (0.44) GPR84PLA2G7

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-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 US disclosed
EP-2736908-A1 BICYCLIC PYRIMIDONE COMPOUNDS Glaxo Group Limited (GB) 2014-06-04 EP disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
WO-2013014185-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 WO disclosed
WO-2013014185-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 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-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS PLA2G7, PLA2G4A, PLA2G1B GPR84 911/4885PTGES 115/4885ALOX5 39/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 GPR84 847/4885PTGES 120/4885ALOX5 57/4885

“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.