SCHEMBL9108723

SCHEMBL9108723

COC(=O)CCc1cc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.61
MTNR1B P49286 3/20 0.61
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
EGFR P00533 1/20 0.50
SRC P12931 1/20 0.50
PIN1 Q13526 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
NLRP3 Q96P20 1/20 0.45
HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL27839236 0.91 MTNR1A (0.58) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL12598336 0.85 MAPT (0.58) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8686875 0.84 MTNR1A (0.56) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL6516292 0.84 FFAR1 (0.49) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL12714834 0.83 MTNR1A (0.66) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL852679 0.82 BACE1 (0.49) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL16240166 0.82 MTNR1A (0.49) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL1745191 0.82 PDGFRB (0.48) MTNR1AMTNR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL29417817 0.82 MTNR1A (0.60) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL606161 0.82 MTNR1A (0.60) MTNR1AMTNR1BKDM4EALDH1A1HPGD

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 20 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
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-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-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
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
CN-103347864-A For treating diseases caused by Lp-PLA2Pyrimidone compounds for mediated diseases or conditions GLAXO GROUP LTD 2013-10-09 CN 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
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
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
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
EP-1814848-B9 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2011-12-21 EP disclosed
EP-1814848-B1 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2010-07-28 EP disclosed
WO-1995013266-A1 ACYLPYRROLE-ALKANOIC ACIDS AND INDOLE-2-ALKANOIC ACIDS PLUS THEIR DERIVATIVES FOR USE AS INHIBITORS OF PHOSPHOLIPASE A¿2? MERCKLE GMBH CHEM.-PHARM. FABRIK (DE) 1995-05-18 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 (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 MTNR1A 1073/4885MTNR1B 935/4885KDM4E 3871/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 MTNR1A 1073/4885MTNR1B 935/4885KDM4E 3871/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B MTNR1A 453/4885MTNR1B 469/4885KDM4E 3024/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B MTNR1A 448/4885MTNR1B 462/4885KDM4E 3085/4885

“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.