SCHEMBL2048779

SCHEMBL2048779

COc1cc(N2CCCN(C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GRM2 Q14416 1/20 0.42
HCRTR1 O43613 14/20 0.42
HCRTR2 O43614 13/20 0.42
ALK Q9UM73 2/20 0.42
ROS1 P08922 1/20 0.42
CHRM5 P08912 1/20 0.39
GRIN2B Q13224 1/20 0.38

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
SCHEMBL2022488 0.89 GRM2 (0.51) ALDH1A1GRM2HCRTR1HCRTR2CHRM5
SCHEMBL2025756 0.88 TSHR (0.51) ALDH1A1GRM2HCRTR1HCRTR2
SCHEMBL2326631 0.88 ALDH1A1 (0.43) ALDH1A1GRM2HCRTR1HCRTR2
SCHEMBL2027112 0.85 ALDH1A1 (0.50) ALDH1A1GRM2HCRTR1HCRTR2CHRM5
SCHEMBL2028589 0.85 GRM2 (0.53) ALDH1A1GRM2HCRTR1HCRTR2CHRM5
SCHEMBL2023270 0.84 GRM2 (0.41) ALDH1A1GRM2HCRTR1HCRTR2
SCHEMBL2021006 0.84 ALDH1A1 (0.49) ALDH1A1GRM2HCRTR1HCRTR2CHRM5
SCHEMBL8272740 0.83 ALDH1A1 (0.48) ALDH1A1GRM2HCRTR1HCRTR2CHRM5
SCHEMBL2023268 0.83 HCRTR1 (0.42) GRM2HCRTR1HCRTR2ALKROS1
SCHEMBL13628469 0.83 HCRTR1 (0.49) GRM2HCRTR1HCRTR2CHRM5GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1582/4885GRM2 4/4885HCRTR1 260/4885

“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.