SCHEMBL17643289

SCHEMBL17643289

Oc1ccc(CCN2C[C@H]3C[C@H](Oc4ccc(F)cc4F)C[C@H]3C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.67
GRIN2B Q13224 20/20 0.67

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
SCHEMBL20091017 0.89 GRIN1 (0.68) GRIN1GRIN2B
SCHEMBL30648126 0.89 GRIN1 (0.58) GRIN1GRIN2B
SCHEMBL24136372 0.88 GRIN1 (0.65) GRIN1GRIN2B
SCHEMBL21018534 0.88 GRIN1 (0.65) GRIN1GRIN2B
SCHEMBL30648110 0.84 GRIN1 (0.67) GRIN1GRIN2B
SCHEMBL21018647 0.84 GRIN1 (0.67) GRIN1GRIN2B
SCHEMBL24136395 0.83 GRIN1 (0.64) GRIN1GRIN2B
SCHEMBL20090966 0.83 GRIN1 (0.64) GRIN1GRIN2B
SCHEMBL21018705 0.82 GRIN1 (0.47) GRIN1GRIN2B
SCHEMBL20090967 0.82 GRIN1 (0.67) 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 4 patents. 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
US-10781174-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[C]pyrrole negative allosteric modulators of NR2B CADENT THERAPEUTICS, INC. (US) 2020-09-22 US disclosed
US-20190152912-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2019-05-23 US disclosed
WO-2016049165-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B MNEMOSYNE PHARMACEUTICALS, INC. (US) 2016-03-31 WO 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 (3 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-10781174-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[C]pyrrole negative allosteric modulators of NR2B GRIN2A, GRIN2C, GRIN3A GRIN1 5/4885GRIN2B 4/4885
US-20200369610-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN1 5/4885GRIN2B 4/4885
US-20190152912-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN1 5/4885GRIN2B 4/4885

“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.