SCHEMBL1002428

SCHEMBL1002428

N#Cc1ccc(CN2CCC(Cc3cc(Cl)c4c(c3)CN(CC3CC3)C4=O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.44
PARP2 Q9UGN5 2/20 0.44
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
PRKAA2 P54646 3/20 0.39
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
OPRM1 P35372 1/20 0.38
CCR3 P51677 3/20 0.38
HRH1 P35367 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KCNH2 Q12809 1/20 0.37
CHRM4 P08173 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
SCHEMBL1001901 0.91 ALDH1A1 (0.45) MAOAMAOBPRKAA2PRKAB2PRKAG1
SCHEMBL1002971 0.89 MAOA (0.40) PARP1PARP2MAOAMAOBPRKAA2
SCHEMBL2023586 0.85 PARP1 (0.46) PARP1PARP2CCR3ALDH1A1
SCHEMBL12442996 0.84 MAOA (0.37) PARP1PARP2MAOAMAOBPRKAA2
SCHEMBL1002787 0.84 CCR3 (0.41) MAOAMAOBPRKAA2PRKAB2PRKAG1
SCHEMBL1001844 0.84 GRM2 (0.43) MAOAMAOBPRKAA2PRKAB2PRKAG1
SCHEMBL1002789 0.81 PARP1 (0.45) PARP1PARP2CCR3HRH1KCNH2
SCHEMBL2024499 0.81 PARP1 (0.39) PARP1PARP2
SCHEMBL12581493 0.81 PARP1 (0.48) PARP1CHRM4
SCHEMBL2025273 0.78 PARP1 (0.47) PARP1PARP2

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 25 patents — showing the first 20. 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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 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
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP claimed
WO-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 WO claimed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO claimed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
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-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-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
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 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
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-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 PARP1 3651/4885PARP2 4209/4885MAOA 3306/4885
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 PARP1 3945/4885PARP2 4568/4885MAOA 4014/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 PARP1 3651/4885PARP2 4209/4885MAOA 3306/4885

“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.