SCHEMBL18629675

SCHEMBL18629675

CC(CN1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cn1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 19/20 0.77
GRIN1 Q05586 5/20 0.50
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL16600915 0.87 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL16995702 0.87 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL30076209 0.87 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL20841792 0.85 GRIN2B (0.78) GRIN2BGRIN1
SCHEMBL18629698 0.83 GRIN2B (0.79) GRIN2B
SCHEMBL20090887 0.81 GRIN2B (0.50) GRIN2BGRIN1ESR1ESR2
SCHEMBL18629458 0.81 GRIN2B (0.74) GRIN2B
SCHEMBL18629327 0.81 GRIN2B (0.82) GRIN2B
SCHEMBL18629286 0.80 GRIN2B (0.52) GRIN2BGRIN1
SCHEMBL20090860 0.80 GRIN1 (0.78) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B CADENT THERAPEUTICS, INC (US) 2021-09-14 US disclosed
US-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B LUC THERAPEUTICS, INC. 2017-03-16 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 (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-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885GRIN1 6/4885ESR1 1488/4885
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885GRIN1 6/4885ESR1 1488/4885
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885GRIN1 6/4885ESR1 1488/4885

“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.