SCHEMBL1003904

SCHEMBL1003904

COc1ccccc1CC(c1cc(C)c2c(c1)CN(CC1CC1)C2=O)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
SLC6A2 P23975 11/20 0.37
SLC6A4 P31645 11/20 0.37
SLC6A3 Q01959 7/20 0.37
KCNH2 Q12809 4/20 0.37
CYP2D6 P10635 3/20 0.37
HTR7 P34969 1/20 0.37
GNAI3 P08754 1/20 0.36
NR1I2 O75469 1/20 0.35
UGCG Q16739 1/20 0.35
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL1001864 0.88 PARP1 (0.39) PARP1SLC6A2SLC6A4SLC6A3NR1I2
SCHEMBL1001900 0.84 PARP1 (0.38) PARP1SLC6A2SLC6A4SLC6A3MAPK1
SCHEMBL1000991 0.84 PARP1 (0.40) PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL1002132 0.82 PARP1 (0.39) PARP1SLC6A2SLC6A4SLC6A3PIK3CD
SCHEMBL1003211 0.80 PARP1 (0.41) PARP1SLC6A2SLC6A3KCNH2ALDH1A1
SCHEMBL1005065 0.79 PARP1 (0.37) PARP1ALDH1A1PIK3CDPIK3CAPIK3CG
SCHEMBL1002272 0.78 PARP1 (0.38) PARP1MAPK1PIK3CDPIK3CAPIK3CG
SCHEMBL1003205 0.77 PARP1 (0.39) PARP1SLC6A2SLC6A3
SCHEMBL1001178 0.72 PARP1 (0.37) PARP1SLC6A2SLC6A4MAPK1ALDH1A1
SCHEMBL1001867 0.71 MEN1 (0.46) PARP1GNAI3

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 3651/4885SLC6A2 482/4885SLC6A4 337/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 PARP1 3651/4885SLC6A2 482/4885SLC6A4 337/4885

“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.