SCHEMBL2021373

SCHEMBL2021373

Oc1ccc(OC[C@@H](O)CN2CCN(c3cccc(F)c3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.71
RECQL P46063 1/20 0.65
KCNH2 Q12809 2/20 0.65
MAPT P10636 5/20 0.62
MAPK1 P28482 2/20 0.62
NLRP3 Q96P20 1/20 0.62
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
HTR7 P34969 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
ABCB1 P08183 2/20 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
SCHEMBL2021374 1.00 CACNA1G (0.71) CACNA1GRECQLKCNH2MAPTMAPK1
SCHEMBL2021371 1.00 CACNA1G (0.71) CACNA1GRECQLKCNH2MAPTMAPK1
SCHEMBL2020406 0.86 RECQL (0.87) CACNA1GRECQLKCNH2MAPTMAPK1
SCHEMBL2019138 0.86 MAPT (0.82) CACNA1GRECQLKCNH2MAPTMAPK1
SCHEMBL2019139 0.86 MAPT (0.82) CACNA1GRECQLKCNH2MAPTMAPK1
SCHEMBL2020404 0.86 RECQL (0.87) CACNA1GRECQLKCNH2MAPTMAPK1
SCHEMBL2020403 0.86 RECQL (0.87) CACNA1GRECQLKCNH2MAPTMAPK1
SCHEMBL2019137 0.86 MAPT (0.82) CACNA1GRECQLKCNH2MAPTMAPK1
SCHEMBL2019905 0.86 MEN1 (0.78) CACNA1GKCNH2MAPTKMT2AMEN1
SCHEMBL2019903 0.86 MEN1 (0.78) CACNA1GKCNH2MAPTKMT2AMEN1

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 CACNA1G 241/4885RECQL 3484/4885KCNH2 137/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 CACNA1G 161/4885RECQL 3471/4885KCNH2 469/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 CACNA1G 251/4885RECQL 3190/4885KCNH2 135/4885

“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.