SCHEMBL14656309

SCHEMBL14656309

CN1CCCn2c1cc(OCc1cccc(F)c1)nc2=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
GRM5 P41594 2/20 0.43
CYP1A2 P05177 1/20 0.43
GPR84 Q9NQS5 2/20 0.42
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALDH1A2 O94788 1/20 0.40
ALDH1A3 P47895 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 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
SCHEMBL14669995 0.93 MAOB (0.47) MAOAMAOBGRM5CYP1A2GPR84
SCHEMBL14656248 0.89 PLA2G7 (0.39) GPR84ALDH1A1KDM4EHPGDMAPK1
SCHEMBL14656083 0.88 GPR84 (0.44) GRM5GPR84KCNH2MCHR1KDM4E
SCHEMBL14656336 0.86 MAOB (0.48) MAOAMAOBGRM5GPR84ALDH1A1
SCHEMBL14656130 0.86 PLA2G7 (0.49) GRM5GPR84
SCHEMBL14656096 0.86 PLA2G7 (0.41) MAOAMAOBGRM5GPR84
SCHEMBL14656156 0.85 PLA2G7 (0.51) GPR84
SCHEMBL15904850 0.85 MAOB (0.43) MAOAMAOBGRM5CYP1A2GPR84
SCHEMBL14656274 0.84 GPR84 (0.49) MAOAMAOBGRM5GPR84
SCHEMBL15832702 0.83 GPR84 (0.42) GRM5GPR84ALDH1A1KDM4EHPGD

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 MAOA 284/4885MAOB 356/4885GRM5 966/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 MAOA 329/4885MAOB 474/4885GRM5 1238/4885

“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.