SCHEMBL1091307

SCHEMBL1091307

NCCCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.57
MAOB P27338 4/20 0.54
LTA4H P09960 2/20 0.49
EPHX2 P34913 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.45
ST14 Q9Y5Y6 1/20 0.44
SOS1 Q07889 1/20 0.43

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
SCHEMBL4380566 0.88 TAAR1 (0.75) TAAR1MAOBLTA4HEPHX2LOXL2
SCHEMBL1319643 0.88 TAAR1 (0.73) TAAR1MAOBLOXL2
Hydrochloric Acid SCHEMBL2149447 0.86 TAAR1 (0.70) TAAR1MAOBLOXL2
SCHEMBL2025420 0.82 MAOA (0.57) LTA4H
SCHEMBL3706426 0.81 TAAR1 (0.70) TAAR1MAOBLOXL2
SCHEMBL12721466 0.81 FFAR1 (0.50) LTA4HEPHX2
Hydrochloric Acid SCHEMBL7393435 0.79 TAAR1 (0.67) TAAR1MAOBLOXL2
SCHEMBL919783 0.79 LOXL2 (0.73) TAAR1MAOBLTA4HEPHX2LOXL2
SCHEMBL21726316 0.79 TAAR1 (0.67) TAAR1MAOBLOXL2
SCHEMBL7005631 0.79 TAAR1 (0.67) TAAR1MAOBLOXL2

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 16 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
US-8153638-B2 Metabotropic glutamate-receptor-potentiating isoindolones ASTRAZENECA AB (SE) 2012-04-10 US disclosed
WO-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 WO disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-20100317674-A1 Metabotropic Glutamate-Receptor-Potentiating Isoindolones VAN WAGENEN BRADFORD 2010-12-16 US disclosed
US-7807706-B2 Metabotropic glutamate-receptor-potentiating isoindolones ASTRAZENECA AB (SE) 2010-10-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20080227794-A1 Metabotropic Glutamate-Receptor-Potentiating Isoindolones ASTRAZENECA AB (SE) 2008-09-18 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 (7 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 TAAR1 3528/4885MAOB 991/4885LTA4H 15/4885
US-20100317674-A1 Metabotropic Glutamate-Receptor-Potentiating Isoindolones GRM1, GRIN1, GRM2 TAAR1 219/4885MAOB 3122/4885LTA4H 2964/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 TAAR1 3528/4885MAOB 991/4885LTA4H 15/4885
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 TAAR1 286/4885MAOB 3508/4885LTA4H 1963/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B TAAR1 2015/4885MAOB 840/4885LTA4H 14/4885
US-20080227794-A1 Metabotropic Glutamate-Receptor-Potentiating Isoindolones GRM1, GRIN1, GRM2 TAAR1 219/4885MAOB 3122/4885LTA4H 2964/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B TAAR1 1985/4885MAOB 861/4885LTA4H 18/4885

“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.