SCHEMBL1001900

SCHEMBL1001900

COc1ccc(CC(c2cc(C)c3c(c2)CN(CC2CC2)C3=O)C2CCNCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.38
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM2 Q14416 1/20 0.34
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRK1 P41145 2/20 0.33
PRKDC P78527 1/20 0.33
OPRM1 P35372 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARP2 Q9UGN5 2/20 0.32
ADORA3 P0DMS8 1/20 0.31
PDE1B Q01064 1/20 0.31

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
SCHEMBL1000991 0.91 PARP1 (0.40) PARP1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL1002132 0.89 PARP1 (0.39) PARP1GRM2PIK3CAPIK3CDPIK3CG
SCHEMBL1005065 0.85 PARP1 (0.37) PARP1ALDH1A1GRM2PIK3CAPIK3CD
SCHEMBL1001178 0.85 PARP1 (0.37) PARP1ALDH1A1SMN1; SMN2GRM2PIK3CA
SCHEMBL1003904 0.84 PARP1 (0.38) PARP1ALDH1A1PIK3CAPIK3CDPIK3CG
SCHEMBL1003211 0.83 PARP1 (0.41) PARP1ALDH1A1GRM2PIK3CAPIK3CD
SCHEMBL1001864 0.81 PARP1 (0.39) PARP1PIK3CAPIK3CDPIK3CGSLC6A2
SCHEMBL1003205 0.80 PARP1 (0.39) PARP1SLC6A2SLC6A3L3MBTL1PARP2
SCHEMBL2332877 0.78 GRM2 (0.52) ALDH1A1GRM2
SCHEMBL2023783 0.77 GRM2 (0.51) GRM2PIK3CGSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US claimed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US claimed
EP-1912940-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-04-23 EP claimed
WO-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 WO claimed
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 US disclosed
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US disclosed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 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 (2 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 PARP1 3651/4885ALDH1A1 1757/4885SMN1; SMN2 3741/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 PARP1 3651/4885ALDH1A1 1757/4885SMN1; SMN2 3741/4885

“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.