SCHEMBL2020658

SCHEMBL2020658

COc1ccc(N2CCN(C[C@H](O)COc3ccc(O)cc3)CC2)cc1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.88
KMT2A Q03164 4/20 0.88
MAPT P10636 10/20 0.80
L3MBTL1 Q9Y468 2/20 0.78
KCNH2 Q12809 1/20 0.78
MAPK1 P28482 1/20 0.78
POLB P06746 2/20 0.67
ALDH1A1 P00352 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
KDM4E B2RXH2 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.65
TP53 P04637 2/20 0.65
LMNA P02545 1/20 0.65

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
SCHEMBL2020661 1.00 MEN1 (0.88) MEN1KMT2AMAPTL3MBTL1KCNH2
SCHEMBL2020657 1.00 MEN1 (0.88) MEN1KMT2AMAPTL3MBTL1KCNH2
SCHEMBL2016634 0.94 KCNH2 (0.88) MEN1KMT2AMAPTL3MBTL1KCNH2
SCHEMBL2016628 0.94 KCNH2 (0.88) MEN1KMT2AMAPTL3MBTL1KCNH2
SCHEMBL2016631 0.94 KCNH2 (0.88) MEN1KMT2AMAPTL3MBTL1KCNH2
SCHEMBL28632862 0.90 MAPK1 (0.91) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL2021540 0.90 MAPT (0.80) MEN1KMT2AMAPTL3MBTL1KCNH2
SCHEMBL12575383 0.90 MAPT (0.80) MEN1KMT2AMAPTL3MBTL1KCNH2
SCHEMBL2021542 0.90 MAPT (0.80) MEN1KMT2AMAPTL3MBTL1KCNH2
SCHEMBL2021538 0.90 MAPT (0.80) MEN1KMT2AMAPTL3MBTL1KCNH2

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 7 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
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 MEN1 3672/4885KMT2A 685/4885MAPT 2477/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 MEN1 2505/4885KMT2A 410/4885MAPT 704/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 MEN1 3627/4885KMT2A 701/4885MAPT 2536/4885

“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.