SCHEMBL9107852

SCHEMBL9107852

Cc1cccc(Oc2ccc(CCOC(=O)NN)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
ADAMTS4 O75173 1/20 0.42
P2RX7 Q99572 1/20 0.42
AOC3 Q16853 1/20 0.39
GRM5 P41594 3/20 0.39
P2RX3 P56373 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR1 O14842 2/20 0.37
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SYK P43405 1/20 0.36
PPARG P37231 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
F2 P00734 2/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35

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
SCHEMBL9107850 0.81 F2 (0.47) OPRM1ADAMTS4GRM5P2RX3ALDH1A1
SCHEMBL9107555 0.76 PDE4B (0.47) OPRM1ADAMTS4GRM5P2RX3ALDH1A1
SCHEMBL15256145 0.74 AOC3 (0.46) AOC3ALDH1A1RAB9AFFAR1MGLL
SCHEMBL31538464 0.73 LTA4H (0.50) OPRM1ADAMTS4GRM5P2RX3RAB9A
SCHEMBL9108163 0.72 MCL1 (0.43) AOC3ALDH1A1RAB9A
SCHEMBL9106015 0.72 RAB9A (0.45) AOC3ALDH1A1RAB9AFFAR1PPARG
SCHEMBL9108067 0.72 FFAR4 (0.40) AOC3RAB9AFFAR1PPARG
SCHEMBL2306673 0.72 SLC7A5 (0.49) ADAMTS4PPARG
SCHEMBL2306679 0.72 SLC7A5 (0.49) ADAMTS4PPARG
SCHEMBL1812084 0.72 P2RX7 (0.53) P2RX7GRM5RAB9AF2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US 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 (4 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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 OPRM1 4612/4885ADAMTS4 671/4885P2RX7 901/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 OPRM1 4612/4885ADAMTS4 671/4885P2RX7 901/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B OPRM1 4260/4885ADAMTS4 562/4885P2RX7 665/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B OPRM1 4269/4885ADAMTS4 614/4885P2RX7 636/4885

“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.