SCHEMBL8008461

SCHEMBL8008461

NC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
ENPP2 Q13822 5/20 0.52
MAPT P10636 4/20 0.51
HTR1A P08908 2/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
USP2 O75604 1/20 0.50
MEN1 O00255 1/20 0.50
KCNH2 Q12809 1/20 0.48
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL12575993 0.87 GRIN1 (0.57) GRIN1GRIN2BENPP2MAPTMAPK1
SCHEMBL8007017 0.86 MAPT (0.53) GRIN1GRIN2BENPP2MAPTHTR1A
SCHEMBL8011778 0.86 ENPP2 (0.68) GRIN1GRIN2BENPP2MAPTMAPK1
SCHEMBL8009251 0.85 GRIN1 (0.71) GRIN1GRIN2BENPP2MAPTKMT2A
SCHEMBL23097712 0.85 MAPT (0.56) GRIN1GRIN2BMAPTHTR1AHTR1D
SCHEMBL2025540 0.84 ALDH1A1 (0.50) MAPTKMT2ALMNAHTTMEN1
SCHEMBL2018858 0.83 GRIN1 (0.75) GRIN1GRIN2BENPP2MAPTHTR1A
SCHEMBL1422019 0.82 HTR2A (0.56) MAPTHTR1AKCNH2ALDH1A1TSHR
SCHEMBL13656236 0.82 MAPT (0.53) GRIN1GRIN2BENPP2MAPTMAPK1
SCHEMBL2023617 0.80 KCNH2 (0.77) MAPTKMT2ALMNAHTTUSP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 US disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 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 (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-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 GRIN1 1/4885GRIN2B 7/4885ENPP2 1294/4885

“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.