SCHEMBL2021868

SCHEMBL2021868

CCN1CCC(Cc2cc(C)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.51
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.40
CCR5 P51681 1/20 0.39
CHRM4 P08173 3/20 0.38
KDM2B Q8NHM5 1/20 0.38
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
CCR2 P41597 1/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37
GRIN2B Q13224 1/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL2021364 0.93 GRM2 (0.50) GRM2TSHRALDH1A1CCR5CHRM4
SCHEMBL2022258 0.92 GRM2 (0.51) GRM2TSHRALDH1A1CCR5CHRM4
SCHEMBL2022161 0.92 GRM2 (0.51) GRM2TSHRALDH1A1CCR5CHRM4
SCHEMBL8271236 0.91 GRM2 (0.51) GRM2TSHRALDH1A1CCR5CHRM4
SCHEMBL1002674 0.90 GRM2 (0.51) GRM2TSHRALDH1A1CCR5CHRM4
SCHEMBL2022740 0.90 GRM2 (0.52) GRM2TSHRALDH1A1CCR5CHRM4
SCHEMBL2330610 0.89 GRM2 (0.49) GRM2TSHRALDH1A1CCR5CHRM4
SCHEMBL2023195 0.89 GRM2 (0.49) GRM2TSHRALDH1A1CCR5CHRM4
SCHEMBL2021120 0.89 GRM2 (0.49) GRM2TSHRALDH1A1CCR5CHRM4
SCHEMBL2027898 0.88 GRM2 (0.48) GRM2TSHRALDH1A1CCR5HCRTR1

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 10 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-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
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 4/4885TSHR 408/4885ALDH1A1 1582/4885

“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.