SCHEMBL12413546

SCHEMBL12413546

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.52
HCRTR2 O43614 17/20 0.52
GRM2 Q14416 1/20 0.48
GRIN2B Q13224 1/20 0.47
CYP3A4 P08684 3/20 0.43

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
SCHEMBL13628469 0.91 HCRTR1 (0.49) HCRTR1HCRTR2GRM2GRIN2BCYP3A4
SCHEMBL2028806 0.90 HCRTR1 (0.53) HCRTR1HCRTR2GRM2CYP3A4
SCHEMBL1003589 0.90 HCRTR1 (0.53) HCRTR1HCRTR2GRM2GRIN2BCYP3A4
SCHEMBL2022984 0.88 GRM2 (0.47) HCRTR1HCRTR2GRM2CYP3A4
SCHEMBL12581836 0.86 HCRTR1 (0.46) HCRTR1HCRTR2GRM2GRIN2B
SCHEMBL12581822 0.86 GRM2 (0.51) HCRTR1HCRTR2GRM2GRIN2B
SCHEMBL12413544 0.86 GRM2 (0.49) HCRTR1HCRTR2GRM2GRIN2B
SCHEMBL2025638 0.85 HCRTR1 (0.45) HCRTR1HCRTR2GRM2GRIN2BCYP3A4
SCHEMBL12413548 0.84 MEN1 (0.45) CYP3A4
SCHEMBL2022457 0.84 GRM2 (0.48) HCRTR1HCRTR2GRM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 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-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 HCRTR1 246/4885HCRTR2 327/4885GRM2 3/4885

“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.