SCHEMBL2018960

SCHEMBL2018960

O=c1ccc2cc(OC[C@H](O)CN3CCN(c4ccc(F)c(F)c4)CC3)ccc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.80
MAPT P10636 4/20 0.58
RECQL P46063 1/20 0.50
ABCB1 P08183 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
CACNA1G O43497 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2015880 1.00 KCNH2 (0.80) KCNH2MAPTRECQLABCB1ALDH1A1
SCHEMBL2015875 1.00 KCNH2 (0.80) KCNH2MAPTRECQLABCB1ALDH1A1
SCHEMBL23097706 0.92 KCNH2 (0.73) KCNH2MAPTRECQLABCB1ALDH1A1
SCHEMBL2020435 0.91 KCNH2 (0.82) KCNH2MAPTABCB1ALDH1A1CACNA1G
SCHEMBL2020439 0.91 KCNH2 (0.82) KCNH2MAPTABCB1ALDH1A1CACNA1G
SCHEMBL12575894 0.91 KCNH2 (0.82) KCNH2MAPTABCB1ALDH1A1CACNA1G
SCHEMBL2017494 0.89 KCNH2 (1.00) KCNH2MAPTRECQLKMT2ALMNA
SCHEMBL2020621 0.89 KCNH2 (0.79) KCNH2MAPTRECQLALDH1A1TP53
SCHEMBL2020623 0.89 KCNH2 (0.79) KCNH2MAPTRECQLALDH1A1TP53
SCHEMBL2017493 0.89 KCNH2 (1.00) KCNH2MAPTRECQLKMT2ALMNA

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 14 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-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US 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-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 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-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 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-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
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 137/4885MAPT 2477/4885RECQL 3484/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885MAPT 704/4885RECQL 3471/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885MAPT 2536/4885RECQL 3190/4885

“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.