SCHEMBL2023451

SCHEMBL2023451

O=C1c2c(Cl)cc(N3CCN(CCc4ccncc4)CC3)cc2CN1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
ADRA1D P25100 6/20 0.40
ADRA1A P35348 6/20 0.40
ADRA1B P35368 6/20 0.40
ALDH1A1 P00352 1/20 0.40
FLT1 P17948 3/20 0.39
KDR P35968 3/20 0.39
THRB P10828 1/20 0.37
ACHE P22303 1/20 0.37
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
CHRM5 P08912 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
DRD4 P21917 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
TSHR P16473 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
SCHEMBL2025703 0.91 GRM2 (0.50) GRM2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL2022402 0.90 GRM2 (0.44) GRM2ALDH1A1KCNH2CHRM5TSHR
SCHEMBL2027112 0.86 ALDH1A1 (0.50) GRM2ALDH1A1CHRM5TSHR
SCHEMBL2026819 0.85 ALDH1A1 (0.44) GRM2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL2023238 0.84 GRM2 (0.54) GRM2ALDH1A1SCN9ACHRM5DRD4
SCHEMBL2024912 0.82 GRM2 (0.40) GRM2ALDH1A1FLT1KDRKCNH2
SCHEMBL2022427 0.81 GRM2 (0.45) GRM2ALDH1A1KCNH2CHRM5TSHR
SCHEMBL2026320 0.80 MEN1 (0.43) GRM2ALDH1A1DRD4DRD2TSHR
SCHEMBL2026154 0.79 CHRM5 (0.49) GRM2ALDH1A1KCNH2SCN5ASCN9A
SCHEMBL27685012 0.79 ALDH1A1 (0.38) ADRA1DADRA1AADRA1BALDH1A1FLT1

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 13 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
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP 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 (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 4/4885ADRA1D 68/4885ADRA1A 161/4885

“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.