SCHEMBL1003204

SCHEMBL1003204

Cc1cc(CC2CCN(Cc3cccc(F)c3)CC2)cc2c1C(=O)N(CC1CCCCC1)C2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.51
PARP2 Q9UGN5 2/20 0.51
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
CHRM2 P08172 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL1003044 0.95 PARP1 (0.53) PARP1PARP2ALDH1A1SMN1; SMN2ACHE
SCHEMBL1005063 0.90 PARP1 (0.48) PARP1PARP2ACHEBCHE
SCHEMBL1002130 0.85 PARP1 (0.50) PARP1PARP2ACHEBCHE
SCHEMBL1000989 0.83 PARP1 (0.51) PARP1PARP2ALDH1A1ACHEDRD2
SCHEMBL1002269 0.83 PARP1 (0.43) PARP1PARP2SMN1; SMN2ACHEBCHE
SCHEMBL1002672 0.82 ACHE (0.53) PARP1PARP2ACHEBCHEMAOA
SCHEMBL1001863 0.81 ATM (0.53) PARP1PARP2ACHEBCHEDRD2
SCHEMBL8246348 0.79 PARP1 (0.48) PARP1PARP2ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL27753976 0.79 DRD2 (0.41) ALDH1A1SMN1; SMN2ACHEBCHEMAOA
SCHEMBL1001898 0.78 PARP1 (0.49) PARP1PARP2SMN1; SMN2ACHE

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 12 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
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 3651/4885PARP2 4209/4885ALDH1A1 1757/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 PARP1 3651/4885PARP2 4209/4885ALDH1A1 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.