SCHEMBL8086996

SCHEMBL8086996

Nc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1N

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.71
MAPT P10636 4/20 0.70
HTR7 P34969 2/20 0.70
KMT2A Q03164 2/20 0.68
MAPK1 P28482 2/20 0.68
RECQL P46063 1/20 0.65
NLRP3 Q96P20 1/20 0.62
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 1/20 0.59

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
SCHEMBL7995990 0.87 KCNH2 (0.80) KCNH2MAPTHTR7KMT2AMAPK1
SCHEMBL3637451 0.86 KCNH2 (0.63) KCNH2MAPTHTR7KMT2AMAPK1
SCHEMBL4249336 0.86 KCNH2 (0.63) KCNH2MAPTHTR7KMT2AMAPK1
SCHEMBL7997482 0.83 KCNH2 (1.00) KCNH2MAPTHTR7KMT2AMAPK1
SCHEMBL7997532 0.83 KCNH2 (1.00) KCNH2MAPTHTR7KMT2AMAPK1
SCHEMBL12576443 0.82 MAPT (0.82) KCNH2MAPTHTR7KMT2AMAPK1
SCHEMBL12575380 0.82 MAPT (0.82) KCNH2MAPTHTR7KMT2AMAPK1
SCHEMBL23097696 0.81 HTR7 (0.68) KCNH2MAPTHTR7KMT2AMAPK1
SCHEMBL8009383 0.81 KCNH2 (0.93) KCNH2MAPTHTR7KMT2AMAPK1
SCHEMBL11365346 0.80 KCNH2 (0.86) KCNH2MAPTHTR7KMT2AMAPK1

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 10 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-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-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
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
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.