SCHEMBL22701643

SCHEMBL22701643

Oc1ccc([C@@H](S)CN2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 20/20 0.76
GRIN1 Q05586 19/20 0.76

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
SCHEMBL17633368 0.86 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL20086356 0.86 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL17633364 0.86 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL20090934 0.85 GRIN2B (0.76) GRIN2BGRIN1
SCHEMBL22701611 0.81 GRIN1 (0.79) GRIN2BGRIN1
SCHEMBL20090933 0.76 GRIN1 (0.62) GRIN2BGRIN1
SCHEMBL17643471 0.76 GRIN1 (0.62) GRIN2BGRIN1
SCHEMBL24136400 0.75 GRIN1 (1.00) GRIN2BGRIN1
SCHEMBL22228218 0.75 GRIN1 (1.00) GRIN2BGRIN1
SCHEMBL20090858 0.75 GRIN1 (0.79) GRIN2BGRIN1

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-20200369610-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2020-11-26 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-20200369610-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885GRIN1 5/4885

“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.