SCHEMBL2020848

SCHEMBL2020848

Oc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.78
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
MAPT P10636 7/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
USP2 O75604 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.60
CACNA1G O43497 1/20 0.60
ALDH1A1 P00352 1/20 0.58
HTR7 P34969 1/20 0.57
ABCB1 P08183 1/20 0.57

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
SCHEMBL2020846 1.00 KCNH2 (0.78) KCNH2KMT2AMEN1MAPTL3MBTL1
SCHEMBL2020849 1.00 KCNH2 (0.78) KCNH2KMT2AMEN1MAPTL3MBTL1
SCHEMBL2016628 0.94 KCNH2 (0.88) KCNH2KMT2AMEN1MAPTL3MBTL1
SCHEMBL2016634 0.94 KCNH2 (0.88) KCNH2KMT2AMEN1MAPTL3MBTL1
SCHEMBL2016631 0.94 KCNH2 (0.88) KCNH2KMT2AMEN1MAPTL3MBTL1
SCHEMBL2021540 0.88 MAPT (0.80) KCNH2KMT2AMEN1MAPTL3MBTL1
SCHEMBL2019903 0.88 MEN1 (0.78) KCNH2KMT2AMEN1MAPTLMNA
SCHEMBL2021542 0.88 MAPT (0.80) KCNH2KMT2AMEN1MAPTL3MBTL1
SCHEMBL2019905 0.88 MEN1 (0.78) KCNH2KMT2AMEN1MAPTLMNA
SCHEMBL2021538 0.88 MAPT (0.80) KCNH2KMT2AMEN1MAPTL3MBTL1

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 KCNH2 137/4885KMT2A 685/4885MEN1 3672/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885KMT2A 410/4885MEN1 2505/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885KMT2A 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.