SCHEMBL13656236

SCHEMBL13656236

COOSNc1ccc(OCC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.49
ENPP2 Q13822 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL13656118 0.86 GRIN1 (0.69) MAPTGRIN1GRIN2BMAPK1TSHR
SCHEMBL12575993 0.86 GRIN1 (0.57) MAPTGRIN1GRIN2BMAPK1TSHR
SCHEMBL13656113 0.85 GRIN1 (0.49) MAPTGRIN1GRIN2BMEN1KMT2A
SCHEMBL2018858 0.82 GRIN1 (0.75) MAPTGRIN1GRIN2BMAPK1TSHR
SCHEMBL8008461 0.82 GRIN1 (0.52) MAPTGRIN1GRIN2BMAPK1TSHR
SCHEMBL8007017 0.80 MAPT (0.53) MAPTGRIN1GRIN2BMAPK1TSHR
SCHEMBL7999240 0.73 DRD2 (0.50) MAPTENPP2MEN1KMT2ALMNA
SCHEMBL13656202 0.72 GRIN1 (0.49) GRIN1GRIN2BTSHRMEN1KMT2A
SCHEMBL13656110 0.72 GRIN1 (0.67) MAPTGRIN1GRIN2BMAPK1MEN1
SCHEMBL12575492 0.71 GRIN1 (0.77) MAPTGRIN1GRIN2BMAPK1ENPP2

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-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 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-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 MAPT 2477/4885GRIN1 1/4885GRIN2B 7/4885

“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.