SCHEMBL20086348

SCHEMBL20086348

Cc1ccc(O[C@H]2C[C@@H]3CN(CC(=O)c4ccc(O)cc4)C[C@@H]3C2)cc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.83
GRIN2B Q13224 20/20 0.83

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
SCHEMBL20086391 1.00 GRIN1 (0.83) GRIN1GRIN2B
SCHEMBL17633234 0.91 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20090996 0.91 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17633401 0.91 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17633233 0.91 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL24136373 0.91 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17643277 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20983486 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17643120 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL24136375 0.88 GRIN1 (1.00) GRIN1GRIN2B

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-20180111902-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B LUC THERAPEUTICS, INC. (US) 2018-04-26 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-20180111902-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B OXER1, OPRL1, OXGR1 GRIN1 31/4885GRIN2B 25/4885

“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.