SCHEMBL1001864

SCHEMBL1001864

Cc1cc(C(Cc2ccccc2F)C2CCNCC2)cc2c1C(=O)N(CC1CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.39
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
SLC6A2 P23975 6/20 0.32
SLC6A3 Q01959 6/20 0.32
DPP4 P27487 1/20 0.32
SCN9A Q15858 3/20 0.32
GNRHR P30968 2/20 0.32
SLC6A4 P31645 4/20 0.32
NR1I2 O75469 1/20 0.31
UGCG Q16739 1/20 0.31
PARP2 Q9UGN5 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
SCHEMBL1003904 0.88 PARP1 (0.38) PARP1PIK3CDPIK3CAPIK3CGSLC6A2
SCHEMBL1002132 0.86 PARP1 (0.39) PARP1PIK3CDPIK3CAPIK3CGSLC6A2
SCHEMBL1003211 0.85 PARP1 (0.41) PARP1PIK3CDPIK3CAPIK3CGSLC6A2
SCHEMBL1005065 0.82 PARP1 (0.37) PARP1PIK3CDPIK3CAPIK3CGPARP2
SCHEMBL1003205 0.81 PARP1 (0.39) PARP1SLC6A2SLC6A3PARP2
SCHEMBL1001900 0.81 PARP1 (0.38) PARP1PIK3CDPIK3CAPIK3CGSLC6A2
SCHEMBL1000991 0.80 PARP1 (0.40) PARP1SLC6A2SLC6A3SLC6A4PARP2
SCHEMBL1002272 0.79 PARP1 (0.38) PARP1PIK3CDPIK3CAPIK3CG
SCHEMBL2023588 0.71 PARP1 (0.39) PARP1SLC6A2SLC6A3SLC6A4
SCHEMBL1002675 0.71 PARP1 (0.39) PARP1PIK3CDPIK3CAPIK3CGSLC6A2

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 9 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
EP-1912940-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 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 (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 3651/4885PIK3CD 1435/4885PIK3CA 1337/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 PARP1 3651/4885PIK3CD 1435/4885PIK3CA 1337/4885

“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.