SCHEMBL16995946

SCHEMBL16995946

COc1cccc(NC(=O)N2C[C@H]3C[C@](O)(Cc4ccccc4)[C@H]3C2)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 19/20 0.77
▸ CCR3 P51677 1/20 0.52

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
SCHEMBL16601338 0.87 GRIN2B (1.00) GRIN2B
SCHEMBL16988972 0.87 GRIN2B (1.00) GRIN2B
SCHEMBL16988973 0.87 GRIN2B (1.00) GRIN2B
SCHEMBL16608243 0.87 GRIN2B (0.72) GRIN2B
SCHEMBL16995956 0.83 GRIN2B (0.67) GRIN2B
SCHEMBL16995619 0.80 GRIN2B (1.00) GRIN2B
SCHEMBL30076156 0.80 GRIN2B (1.00) GRIN2B
SCHEMBL16601057 0.80 GRIN2B (1.00) GRIN2B
SCHEMBL16608255 0.79 GRIN2B (0.78) GRIN2B
SCHEMBL18629614 0.79 GRIN2B (0.78) GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540324-B2 Selective octahydro-cyclopenta[C] pyrrole negative modulators of NR2B LUC THERAPEUTICS, INC. (US) 2017-01-10 — — US disclosed
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B NOVARTIS AG (CH) 2015-08-13 — — 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-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885CCR3 3425/4885

“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.

Send feedback