SCHEMBL8007017

SCHEMBL8007017

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTR1A P08908 2/20 0.49
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
ENPP2 Q13822 4/20 0.48
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL12575993 0.88 GRIN1 (0.57) MAPTGRIN1GRIN2BLMNAALDH1A1
SCHEMBL8008461 0.86 GRIN1 (0.52) MAPTGRIN1GRIN2BLMNAALDH1A1
SCHEMBL2018858 0.82 GRIN1 (0.75) MAPTGRIN1GRIN2BLMNAALDH1A1
SCHEMBL13656236 0.80 MAPT (0.53) MAPTGRIN1GRIN2BLMNAALDH1A1
SCHEMBL23097712 0.73 MAPT (0.56) MAPTGRIN1GRIN2BLMNAALDH1A1
SCHEMBL7999240 0.73 DRD2 (0.50) MAPTLMNAMEN1KMT2AHTR1A
SCHEMBL12575492 0.73 GRIN1 (0.77) MAPTGRIN1GRIN2BLMNAALDH1A1
SCHEMBL8011778 0.72 ENPP2 (0.68) MAPTGRIN1GRIN2BLMNAALDH1A1
SCHEMBL8009251 0.71 GRIN1 (0.71) MAPTGRIN1GRIN2BLMNAALDH1A1
SCHEMBL2025540 0.71 ALDH1A1 (0.50) MAPTLMNAALDH1A1MEN1KMT2A

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 MAPT 2536/4885GRIN1 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.