SCHEMBL2028113

SCHEMBL2028113

Cc1cc(-c2cccc(CN(C)C)c2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.53
LSS P48449 1/20 0.40
GRIN2B Q13224 2/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RY1 P47900 1/20 0.38
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
SLC6A4 P31645 1/20 0.37
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 3/20 0.36
TSHR P16473 1/20 0.36
CHRM5 P08912 2/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
NTRK1 P04629 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
SCHEMBL2025992 0.91 GRM2 (0.56) GRM2LSSGRIN2BALDH1A1PIM1
SCHEMBL5279973 0.90 GRM2 (0.49) GRM2LSSGRIN2BALDH1A1P2RY1
SCHEMBL2025275 0.89 GRM2 (0.54) GRM2LSSGRIN2BALDH1A1SLC6A4
SCHEMBL12641830 0.87 GRM2 (0.59) GRM2GRIN2BALDH1A1HCRTR1HCRTR2
SCHEMBL2022914 0.87 GRM2 (0.53) GRM2LSSGRIN2BALDH1A1SLC6A4
SCHEMBL2019548 0.83 GRM2 (0.53) GRM2LSSGRIN2BALDH1A1TSHR
SCHEMBL2023390 0.83 GRM2 (0.57) GRM2GRIN2BALDH1A1HCRTR1HCRTR2
SCHEMBL8270193 0.82 GRM2 (0.57) GRM2CHRM5
SCHEMBL2022432 0.81 GRM2 (0.50) GRM2LSSGRIN2BALDH1A1SLC6A4
SCHEMBL2021816 0.81 GRM2 (0.46) GRM2LSSGRIN2BALDH1A1PIM1

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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US claimed
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-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-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
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 (1 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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 GRM2 4/4885LSS 2003/4885GRIN2B 16/4885

“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.