SCHEMBL8006950

SCHEMBL8006950

O=C(COc1ccc(O)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.70
GRIN2B Q13224 1/20 0.70
ME2 P23368 1/20 0.67
ME1 P48163 1/20 0.67
ME3 Q16798 1/20 0.67
MAPT P10636 9/20 0.60
RAB9A P51151 1/20 0.59
ENPP2 Q13822 4/20 0.59
HTT P42858 4/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL12576407 0.89 GRIN1 (0.72) GRIN1GRIN2BMAPTRAB9AENPP2
SCHEMBL12575492 0.86 GRIN1 (0.77) GRIN1GRIN2BMAPTRAB9AENPP2
SCHEMBL8009251 0.84 GRIN1 (0.71) GRIN1GRIN2BMAPTRAB9AENPP2
SCHEMBL2017062 0.82 GRIN1 (1.00) GRIN1GRIN2BMAPTRAB9AENPP2
SCHEMBL7997522 0.82 GRIN1 (0.60) GRIN1GRIN2BMAPTRAB9AENPP2
SCHEMBL13656118 0.81 GRIN1 (0.69) GRIN1GRIN2BMAPTRAB9AENPP2
SCHEMBL8007637 0.80 GRIN1 (0.58) GRIN1GRIN2BMAPTRAB9AENPP2
SCHEMBL8012157 0.80 GRIN1 (0.68) GRIN1GRIN2BMAPTRAB9AENPP2
SCHEMBL2022360 0.79 GRIN1 (0.56) GRIN1GRIN2BMAPTRAB9AENPP2
SCHEMBL2022580 0.79 GRIN1 (0.59) GRIN1GRIN2BMAPTRAB9AENPP2

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 7/4885ME2 1099/4885

“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.