SCHEMBL2016772

SCHEMBL2016772

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

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 5/20 0.83
KCNH2 Q12809 4/20 0.73
MAPT P10636 5/20 0.65
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
CYP2D6 P10635 1/20 0.58
ABCB1 P08183 2/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL2016775 1.00 CACNA1G (0.83) CACNA1GKCNH2MAPTKMT2AMEN1
SCHEMBL2016769 1.00 CACNA1G (0.83) CACNA1GKCNH2MAPTKMT2AMEN1
SCHEMBL2016628 0.90 KCNH2 (0.88) CACNA1GKCNH2MAPTKMT2AMEN1
SCHEMBL2016631 0.90 KCNH2 (0.88) CACNA1GKCNH2MAPTKMT2AMEN1
SCHEMBL2016634 0.90 KCNH2 (0.88) CACNA1GKCNH2MAPTKMT2AMEN1
SCHEMBL2019901 0.87 MEN1 (0.78) CACNA1GKCNH2MAPTKMT2AMEN1
SCHEMBL2019903 0.87 MEN1 (0.78) CACNA1GKCNH2MAPTKMT2AMEN1
SCHEMBL2019905 0.87 MEN1 (0.78) CACNA1GKCNH2MAPTKMT2AMEN1
SCHEMBL2017996 0.87 MAPT (0.74) CACNA1GKCNH2MAPTKMT2AMAPK1
SCHEMBL2017993 0.87 MAPT (0.74) CACNA1GKCNH2MAPTKMT2AMAPK1

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 241/4885KCNH2 137/4885MAPT 2477/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 CACNA1G 161/4885KCNH2 469/4885MAPT 704/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 CACNA1G 251/4885KCNH2 135/4885MAPT 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.