SCHEMBL1001587

SCHEMBL1001587

N#Cc1cnccc1CN1CCN(Cc2cc(Cl)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
ALDH1A1 P00352 1/20 0.40
PRCP P42785 4/20 0.39
NAMPT P43490 1/20 0.39
TSHR P16473 1/20 0.38
GPR6 P46095 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
FAAH O00519 1/20 0.35
ABL1 P00519 2/20 0.34
PARP1 P09874 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
AR P10275 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
HTR2C P28335 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL12413538 0.85 GRM2 (0.47) GRM2ALDH1A1TSHRGPR6FAAH
SCHEMBL2023226 0.84 GRM2 (0.42) GRM2ALDH1A1PRCPNAMPTTSHR
SCHEMBL12442978 0.83 DRD2 (0.42) GRM2ALDH1A1PRCPGPR6PARP1
SCHEMBL2024727 0.82 GRM2 (0.44) GRM2ALDH1A1NAMPTTSHRGPR6
SCHEMBL8250210 0.82 ALDH1A1 (0.47) GRM2ALDH1A1PRCPTSHRGPR6
SCHEMBL12580818 0.81 GPR6 (0.46) GRM2ALDH1A1TSHRGPR6PARP1
SCHEMBL2020644 0.78 GRM2 (0.44) GRM2ALDH1A1PRCPTSHRROCK2
SCHEMBL2022149 0.78 HTT (0.48) GRM2ALDH1A1PRCPTSHRHTR2C
SCHEMBL1001844 0.77 GRM2 (0.43) GRM2ALDH1A1TSHRGPR6
SCHEMBL1000888 0.77 GRM2 (0.46) GRM2ALDH1A1TSHRGPR6FNTA

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 15 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-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
WO-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 WO claimed
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-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 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
EP-1912940-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-04-23 EP 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

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 GRM2 3/4885ALDH1A1 1757/4885PRCP 2464/4885
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 GRM2 4/4885ALDH1A1 1582/4885PRCP 3674/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 GRM2 3/4885ALDH1A1 1757/4885PRCP 2464/4885

“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.