SCHEMBL2014884

SCHEMBL2014884

NC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.82
KMT2A Q03164 2/20 0.82
MEN1 O00255 1/20 0.82
KCNH2 Q12809 3/20 0.80
RECQL P46063 1/20 0.76
HTR7 P34969 5/20 0.71
LMNA P02545 2/20 0.65
TP53 P04637 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HTT P42858 1/20 0.64
ALDH1A1 P00352 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MAPK1 P28482 1/20 0.63
NLRP3 Q96P20 1/20 0.63
USP2 O75604 1/20 0.60
CACNA1G O43497 1/20 0.55

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
SCHEMBL2014883 1.00 MAPT (0.82) MAPTKMT2AMEN1KCNH2RECQL
SCHEMBL2047692 0.89 MAPT (0.70) MAPTKMT2AMEN1KCNH2RECQL
SCHEMBL2017013 0.89 KCNH2 (0.69) MAPTKMT2AMEN1KCNH2RECQL
SCHEMBL2047696 0.89 MAPT (0.70) MAPTKMT2AMEN1KCNH2RECQL
SCHEMBL2017016 0.89 KCNH2 (0.69) MAPTKMT2AMEN1KCNH2RECQL
SCHEMBL4258169 0.89 KCNH2 (1.00) MAPTKMT2AMEN1KCNH2RECQL
SCHEMBL4258171 0.89 KCNH2 (1.00) MAPTKMT2AMEN1KCNH2RECQL
SCHEMBL2021295 0.89 KCNH2 (1.00) MAPTKMT2AMEN1KCNH2RECQL
SCHEMBL2021188 0.89 KCNH2 (0.81) MAPTKMT2AMEN1KCNH2HTR7
SCHEMBL2014909 0.89 KCNH2 (0.81) MAPTKMT2AMEN1KCNH2HTR7

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
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US 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 (3 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 MAPT 2477/4885KMT2A 685/4885MEN1 3672/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 MAPT 704/4885KMT2A 410/4885MEN1 2505/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 MAPT 2536/4885KMT2A 701/4885MEN1 3627/4885

“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.