SCHEMBL3637451

SCHEMBL3637451

Nc1ccc(OCC(O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.63
MAPT P10636 5/20 0.61
HTR7 P34969 2/20 0.61
HTT P42858 2/20 0.61
ALDH1A1 P00352 1/20 0.61
TDP1 Q9NUW8 1/20 0.60
RECQL P46063 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56

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
SCHEMBL4249336 1.00 KCNH2 (0.63) KCNH2MAPTHTR7HTTALDH1A1
SCHEMBL8086996 0.86 KCNH2 (0.71) KCNH2MAPTHTR7RECQLMAPK1
SCHEMBL7995990 0.80 KCNH2 (0.80) KCNH2MAPTHTR7ALDH1A1RECQL
SCHEMBL4259299 0.77 KCNH2 (1.00) KCNH2MAPTHTR7RECQLMAPK1
SCHEMBL4259292 0.77 KCNH2 (1.00) KCNH2MAPTHTR7RECQLMAPK1
SCHEMBL7997532 0.77 KCNH2 (1.00) KCNH2MAPTHTR7RECQLMAPK1
SCHEMBL7997482 0.77 KCNH2 (1.00) KCNH2MAPTHTR7RECQLMAPK1
SCHEMBL10494871 0.76 SMN1; SMN2 (0.48) MAPTHTTALDH1A1TDP1KMT2A
SCHEMBL12576443 0.76 MAPT (0.82) KCNH2MAPTHTR7HTTALDH1A1
SCHEMBL12575380 0.76 MAPT (0.82) KCNH2MAPTHTR7HTTALDH1A1

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 9 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
CN-103497114-A NMDA receptor antagonists for neuroprotection UNIV EMORY 2014-01-08 CN disclosed
CN-103058957-A NMDA receptor antagonists for neuroprotection UNIV EMORY 2013-04-24 CN disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
EP-2170334-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION Emory University (US) 2010-04-07 EP disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US 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 (2 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 KCNH2 137/4885MAPT 2477/4885HTR7 443/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885MAPT 2536/4885HTR7 435/4885

“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.