SCHEMBL2027591

SCHEMBL2027591

CC(F)(F)Oc1ccc(CN2Cc3cc(Cl)cc(Cl)c3C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.42
GRIN2B Q13224 2/20 0.40
ALDH1A1 P00352 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CYP3A4 P08684 1/20 0.36
DPP4 P27487 1/20 0.36
CYP2C19 P33261 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
CHRM5 P08912 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL2026639 0.91 GRM2 (0.47) GRM2GRIN2BALDH1A1HCRTR1HCRTR2
SCHEMBL2022406 0.84 GAA (0.45) GRM2ALDH1A1CHRM5
SCHEMBL2026888 0.83 GRM2 (0.47) GRM2GRIN2BALDH1A1HCRTR1HCRTR2
SCHEMBL2018587 0.83 GRM2 (0.47) GRM2GRIN2BALDH1A1HCRTR1HCRTR2
SCHEMBL1003171 0.82 CHRM5 (0.48) GRM2GRIN2BALDH1A1HCRTR1HCRTR2
SCHEMBL12442483 0.81 LSS (0.45) GRM2GRIN2BALDH1A1HCRTR1HCRTR2
SCHEMBL2021638 0.81 GRM2 (0.46) GRM2GRIN2BALDH1A1HCRTR1HCRTR2
SCHEMBL2029723 0.81 GRM2 (0.56) GRM2GRIN2BALDH1A1HCRTR1HCRTR2
SCHEMBL2025257 0.81 GRM2 (0.46) GRM2GRIN2BALDH1A1HCRTR1HCRTR2
SCHEMBL2022810 0.81 TNIK (0.37) HCRTR1HCRTR2

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 3 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
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

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 4/4885GRIN2B 16/4885ALDH1A1 1582/4885

“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.