SCHEMBL20090956

SCHEMBL20090956

COc1nc(C(=O)CN2CC3CCC[C@@H]3C2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 20/20 0.68
GRIN1 Q05586 13/20 0.68

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
SCHEMBL24136356 1.00 GRIN2B (0.68) GRIN2BGRIN1
SCHEMBL24136449 0.84 GRIN2B (0.48) GRIN2BGRIN1
SCHEMBL29882750 0.81 GRIN1 (1.00) GRIN2BGRIN1
SCHEMBL20983459 0.81 GRIN1 (1.00) GRIN2BGRIN1
SCHEMBL17643323 0.81 GRIN1 (1.00) GRIN2BGRIN1
SCHEMBL22228201 0.81 GRIN1 (1.00) GRIN2BGRIN1
SCHEMBL24136443 0.81 GRIN2B (0.64) GRIN2BGRIN1
SCHEMBL20090977 0.81 GRIN2B (0.64) GRIN2BGRIN1
SCHEMBL20090986 0.81 GRIN2B (0.64) GRIN2BGRIN1
SCHEMBL24136422 0.76 GRIN2B (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239835-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[c]pyrrole negative allosteric modulators of NR2B CADENT THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
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 (2 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 GRIN2B 25/4885GRIN1 31/4885
US-10239835-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[c]pyrrole negative allosteric modulators of NR2B OXER1, OPRL1, OXGR1 GRIN2B 25/4885GRIN1 31/4885

“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.