SCHEMBL2022402

SCHEMBL2022402

O=C1c2c(Cl)cc(N3CCN(c4ccncc4)CC3)cc2CN1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.44
CHRM5 P08912 2/20 0.40
HTR2C P28335 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP21A2 P08686 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP7A1 P22680 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.36
TNF P01375 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
GRIN2B Q13224 1/20 0.36
PRCP P42785 2/20 0.36
PANK3 Q9H999 1/20 0.36

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
SCHEMBL2023451 0.90 GRM2 (0.42) GRM2CHRM5ALDH1A1KCNH2TSHR
SCHEMBL2027112 0.89 ALDH1A1 (0.50) GRM2CHRM5ALDH1A1CYP2C9GRIN2B
SCHEMBL2022427 0.89 GRM2 (0.45) GRM2CHRM5HTR2CALDH1A1KCNH2
SCHEMBL2022775 0.85 CHRM5 (0.43) GRM2CHRM5HTR2CROCK2ROCK1
SCHEMBL2026154 0.84 CHRM5 (0.49) GRM2CHRM5HTR2CROCK2ROCK1
SCHEMBL2026819 0.84 ALDH1A1 (0.44) GRM2HTR2CALDH1A1CYP2C9PPARD
SCHEMBL2023238 0.84 GRM2 (0.54) GRM2CHRM5ROCK2ROCK1ALDH1A1
SCHEMBL2025780 0.83 GRM2 (0.41) GRM2CHRM5HTR2CALDH1A1PPARD
SCHEMBL2024912 0.82 GRM2 (0.40) GRM2CHRM5HTR2CROCK2ROCK1
SCHEMBL2026320 0.82 MEN1 (0.43) GRM2ALDH1A1PPARDPPARAPANK3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US claimed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP 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
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
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 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 (1 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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 GRM2 4/4885CHRM5 65/4885HTR2C 616/4885

“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.