SCHEMBL23805564

SCHEMBL23805564

Oc1ccc(SCN2C[C@H]3C[C@H](Cc4ccccc4)C[C@H]3C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 14/20 0.62
▸ GRIN2A Q12879 2/20 0.56
▸ GRIN1 Q05586 3/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44

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
SCHEMBL23805618 1.00 GRIN2B (0.62) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL23805595 1.00 GRIN2B (0.62) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL23805590 0.83 GRIN2B (0.63) GRIN2BGRIN2AGRIN1
SCHEMBL23805563 0.83 GRIN2B (0.63) GRIN2BGRIN2AGRIN1
SCHEMBL18629617 0.82 GRIN2B (0.59) GRIN2BGRIN2A
SCHEMBL23805644 0.81 GRIN2B (0.62) GRIN2BGRIN2AGRIN1
SCHEMBL30076104 0.80 GRIN2B (0.63) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL22701642 0.80 GRIN2B (0.65) GRIN2BGRIN2AGRIN1
SCHEMBL20090933 0.77 GRIN1 (0.62) GRIN2BGRIN1
SCHEMBL16600965 0.76 GRIN2B (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B CADENT THERAPEUTICS, INC (US) 2021-09-14 — — 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-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885GRIN2A 1/4885GRIN1 6/4885

“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.

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