SCHEMBL1001844

SCHEMBL1001844

N#Cc1ccc(CN2CCC(Cc3cc(Cl)c4c(c3)CN(Cc3ccc(OC(F)(F)F)cc3)C4=O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CHRM4 P08173 4/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
PRKAB2 O43741 1/20 0.37
CYP3A4 P08684 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 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
SCHEMBL1002674 0.91 GRM2 (0.51) GRM2MAOAMAOBCHRM4CHRM2
SCHEMBL12413538 0.91 GRM2 (0.47) GRM2MAOAMAOBALDH1A1TSHR
SCHEMBL1002787 0.89 CCR3 (0.41) MAOAMAOBALDH1A1HRH1CCR3
SCHEMBL2020644 0.88 GRM2 (0.44) GRM2CHRM4CHRM2CHRM1ALDH1A1
SCHEMBL1002971 0.88 MAOA (0.40) MAOAMAOBCHRM4ALDH1A1TSHR
SCHEMBL1001901 0.88 ALDH1A1 (0.45) MAOAMAOBALDH1A1HRH1CCR3
SCHEMBL2027732 0.86 ALDH1A1 (0.45) GRM2CHRM4ALDH1A1TSHRCCR2
SCHEMBL1002428 0.84 PARP1 (0.44) MAOAMAOBCHRM4ALDH1A1HRH1
SCHEMBL1003992 0.84 GRM2 (0.47) GRM2ALDH1A1
SCHEMBL2024727 0.82 GRM2 (0.44) GRM2ALDH1A1TSHRCYP3A4GPR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101039907-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2011-02-23 CN claimed
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
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
CN-101039907-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2007-09-19 CN 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
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-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 US 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

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 3/4885MAOA 3306/4885MAOB 2952/4885
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 GRM2 4/4885MAOA 4014/4885MAOB 3508/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 GRM2 3/4885MAOA 3306/4885MAOB 2952/4885

“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.