SCHEMBL1002813

SCHEMBL1002813

N#Cc1ccc2c(c1)CN(Cc1ccccc1)C2=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.58
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
HDAC1 Q13547 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PARP1 P09874 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.41
NAMPT P43490 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL20184098 0.89 HDAC1 (0.52) GRM5CYP11B1CYP11B2HDAC1HDAC4
SCHEMBL14991856 0.84 PRMT5 (0.44) GRM5PRMT5WDR77CYP11B1CYP11B2
SCHEMBL27923999 0.83 HDAC1 (0.48) GRM5CYP11B1CYP11B2HDAC1ACHE
SCHEMBL6765858 0.81 MEN1 (0.46) GRM5PRMT5WDR77HDAC1HDAC6
SCHEMBL2023150 0.80 GRM5 (0.50) GRM5PRMT5WDR77CYP11B1CYP11B2
SCHEMBL22072220 0.80 CYP11B1 (0.49) GRM5PRMT5WDR77CYP11B1CYP11B2
SCHEMBL2011104 0.80 ITGB3 (0.49) PRMT5WDR77CYP11B1CYP11B2
SCHEMBL1500111 0.79 HDAC1 (0.49) GRM5PRMT5WDR77HDAC1HDAC4
SCHEMBL31409566 0.79 HDAC1 (0.49) GRM5PRMT5WDR77HDAC1HDAC4
SCHEMBL5282876 0.79 HDAC1 (0.49) GRM5PRMT5WDR77HDAC1HDAC4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US claimed
CN-101309905-A Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2008-11-19 CN 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
CN-102134214-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2013-05-22 CN disclosed
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
CN-102134214-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA SWEDEN AB 2011-07-27 CN 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-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
CN-101039907-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2011-02-23 CN disclosed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
CN-101309905-A Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2008-11-19 CN disclosed
EP-1912940-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-04-23 EP disclosed
CN-101039907-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2007-09-19 CN disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO 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 (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 GRM5 6/4885PRMT5 420/4885WDR77 1960/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 GRM5 6/4885PRMT5 420/4885WDR77 1960/4885

“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.