SCHEMBL20090945

SCHEMBL20090945

Oc1ccc(SCN2C[C@H]3C[C@H](Oc4cnccn4)C[C@H]3C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 19/20 0.67
GRIN2B Q13224 19/20 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
SCHEMBL20090874 0.82 GRIN1 (0.67) GRIN1GRIN2B
SCHEMBL20090965 0.82 GRIN1 (0.67) GRIN1GRIN2B
SCHEMBL24271020 0.82 GRIN1 (0.67) GRIN1GRIN2B
SCHEMBL26018739 0.82 GRIN1 (0.67) GRIN1GRIN2B
SCHEMBL29882844 0.80 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL22228151 0.80 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL26019404 0.80 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20086374 0.80 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29883137 0.80 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17643073 0.80 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 2 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-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-20200369610-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN1 5/4885GRIN2B 4/4885
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.