SCHEMBL1003383

SCHEMBL1003383

O=C1c2c(cc(Br)cc2C(F)(F)F)CN1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.47
CHRM5 P08912 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HCRTR2 O43614 3/20 0.40
HCRTR1 O43613 2/20 0.40
HTR2C P28335 1/20 0.39
GRIN2B Q13224 2/20 0.39
TSHR P16473 1/20 0.38
PIM1 P11309 1/20 0.37

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
SCHEMBL18786792 0.89 PARK7 (0.42) GRM2CHRM5
SCHEMBL2022219 0.89 GRM2 (0.46) GRM2CHRM5ALDH1A1HCRTR2HCRTR1
SCHEMBL2018587 0.88 GRM2 (0.47) GRM2CHRM5ALDH1A1HCRTR2HCRTR1
SCHEMBL2022287 0.88 GRM2 (0.45) GRM2CHRM5ALDH1A1HCRTR2HCRTR1
SCHEMBL12413544 0.87 GRM2 (0.49) GRM2CHRM5ALDH1A1HCRTR2HCRTR1
SCHEMBL1001497 0.87 GRM2 (0.57) GRM2CHRM5ALDH1A1HCRTR2HCRTR1
SCHEMBL2022956 0.86 GRM2 (0.44) GRM2CHRM5ALDH1A1HCRTR2HCRTR1
SCHEMBL1003022 0.86 CHRM5 (0.47) GRM2CHRM5ALDH1A1HCRTR2HCRTR1
SCHEMBL2022984 0.85 GRM2 (0.47) GRM2HCRTR2HCRTR1
SCHEMBL1000919 0.84 GRM2 (0.45) GRM2CHRM5ALDH1A1HCRTR2HCRTR1

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 10 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-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-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-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
EP-1912940-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-04-23 EP disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 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 3/4885CHRM5 51/4885ALDH1A1 1757/4885
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 GRM2 4/4885CHRM5 65/4885ALDH1A1 1582/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 GRM2 3/4885CHRM5 51/4885ALDH1A1 1757/4885

“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.