SCHEMBL14656332

SCHEMBL14656332

CN1CCCn2c1cc(OCCc1ccc(Cl)cc1)nc2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.44
MAOB P27338 4/20 0.40
ADORA2A P29274 1/20 0.40
GRM5 P41594 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
ADORA2B P29275 1/20 0.36
ACHE P22303 1/20 0.36
CHRNA7 P36544 1/20 0.36
MAOA P21397 1/20 0.35
CHRM2 P08172 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ELOVL1 Q9BW60 1/20 0.34

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
SCHEMBL14656158 0.90 ELOVL1 (0.45) GPR84ACHECHRNA7ELOVL1
SCHEMBL14656134 0.89 MAOB (0.43) GPR84MAOBADORA2AADORA3
SCHEMBL14656372 0.88 GPR84 (0.48) GPR84MAOBADORA2AADORA3ACHE
SCHEMBL14656396 0.86 GPR84 (0.42) GPR84ACHECHRNA7HRH1KCNH2
SCHEMBL14656123 0.86 GPR84 (0.42) GPR84ACHECHRNA7KCNH2ELOVL1
SCHEMBL14656278 0.84 GPR84 (0.39) GPR84ELOVL1
SCHEMBL14656453 0.84 PLA2G7 (0.44) GPR84MAOB
SCHEMBL14656180 0.83 GPR84 (0.39) GPR84ACHECHRNA7ELOVL1
SCHEMBL14656242 0.82 GPR84 (0.40) GPR84ACHECHRNA7ELOVL1
SCHEMBL14656143 0.81 PLA2G7 (0.57)

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 911/4885MAOB 356/4885ADORA2A 470/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 GPR84 847/4885MAOB 474/4885ADORA2A 698/4885

“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.