SCHEMBL1005115

SCHEMBL1005115

Cc1cc(OCC2CCNCC2)cc2c1C(=O)N(CC1CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
HTR3A P46098 2/20 0.38
KCNH2 Q12809 2/20 0.38
F10 P00742 1/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CG P48736 1/20 0.37
MAPK1 P28482 1/20 0.36
SLC6A3 Q01959 2/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
BRD4 O60885 1/20 0.35
KDM1A O60341 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
SCHEMBL1002883 0.81 PARP1 (0.47) PARP1KCNH2PIK3CAPIK3CDPIK3CG
SCHEMBL2025995 0.80 GRM2 (0.55) ITGB3ITGA2BTDP1CYP2D6HRH3
SCHEMBL1001176 0.78 PARP1 (0.47) PARP1
SCHEMBL1002672 0.76 ACHE (0.53) PARP1
SCHEMBL1000891 0.76 PARP1 (0.45) PARP1ITGB3ITGA2BPIK3CAPIK3CD
SCHEMBL1001178 0.74 PARP1 (0.37) PARP1TDP1SLC6A2SLC6A4PIK3CA
SCHEMBL8271584 0.73 PIK3CD (0.42) PARP1PIK3CAPIK3CDPIK3CGMAPK1
SCHEMBL13613670 0.73 PIK3CD (0.42) PARP1KCNH2PIK3CAPIK3CDPIK3CG
SCHEMBL1001568 0.73 PIK3CD (0.42) PARP1KCNH2PIK3CAPIK3CDPIK3CG
SCHEMBL1001933 0.73 PIK3CG (0.42) PARP1PIK3CAPIK3CDPIK3CGMAPK1

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
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 US disclosed
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 US disclosed
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-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 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
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US 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 3651/4885ITGB3 4076/4885ITGA2B 3802/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 PARP1 3651/4885ITGB3 4076/4885ITGA2B 3802/4885

“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.