SCHEMBL1003029

SCHEMBL1003029

Cc1cc(-c2cncc(COS(C)(=O)=O)c2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.52
PIK3CG P48736 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CHRM5 P08912 6/20 0.37
GRIN2B Q13224 1/20 0.35
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 3/20 0.34
ALDH1A1 P00352 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL2022413 0.87 GRM2 (0.55) GRM2PIK3CGPRMT6CHRM5GRIN2B
SCHEMBL2025275 0.86 GRM2 (0.54) GRM2PIK3CGPRMT6CHRM5GRIN2B
SCHEMBL2024575 0.86 GRM2 (0.51) GRM2PIK3CGCHRM5GRIN2B
SCHEMBL12580809 0.86 GRM2 (0.57) GRM2PIK3CGPRMT6CHRM5GRIN2B
SCHEMBL1002074 0.84 GRM2 (0.58) GRM2PIK3CGPRMT6ALDH1A1
SCHEMBL2025283 0.83 GRM2 (0.54) GRM2PIK3CGPRMT6CHRM5GRIN2B
SCHEMBL2024338 0.83 GRM2 (0.59) GRM2PIK3CGPRMT6CYP11B2ALDH1A1
SCHEMBL8270193 0.82 GRM2 (0.57) GRM2PIK3CGCHRM5CYP11B1CYP11B2
SCHEMBL2027849 0.81 GRM2 (0.60) GRM2PIK3CGCHRM5GRIN2BALDH1A1
SCHEMBL12641830 0.80 GRM2 (0.59) GRM2CHRM5GRIN2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 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 (3 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-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS GRM1, GRIN1, GRM2 GRM2 3/4885PIK3CG 1990/4885PRMT6 458/4885
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 GRM2 4/4885PIK3CG 1735/4885PRMT6 821/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 GRM2 3/4885PIK3CG 1990/4885PRMT6 458/4885

“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.