SCHEMBL2017993

SCHEMBL2017993

Oc1ccc(OCC(O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.74
LMNA P02545 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
HSD17B10 Q99714 1/20 0.74
CACNA1G O43497 4/20 0.73
KCNH2 Q12809 3/20 0.73
GAA P10253 1/20 0.63
RECQL P46063 1/20 0.62
MAPK1 P28482 2/20 0.59
NLRP3 Q96P20 1/20 0.59
HTR7 P34969 2/20 0.56
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
IGF1R P08069 1/20 0.55
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL2017996 1.00 MAPT (0.74) MAPTLMNASMN1; SMN2HSD17B10CACNA1G
SCHEMBL2017995 1.00 MAPT (0.74) MAPTLMNASMN1; SMN2HSD17B10CACNA1G
SCHEMBL2016775 0.87 CACNA1G (0.83) MAPTLMNASMN1; SMN2HSD17B10CACNA1G
SCHEMBL2016772 0.87 CACNA1G (0.83) MAPTLMNASMN1; SMN2HSD17B10CACNA1G
SCHEMBL2016769 0.87 CACNA1G (0.83) MAPTLMNASMN1; SMN2HSD17B10CACNA1G
SCHEMBL2021373 0.86 CACNA1G (0.71) MAPTCACNA1GKCNH2RECQLMAPK1
SCHEMBL2021371 0.86 CACNA1G (0.71) MAPTCACNA1GKCNH2RECQLMAPK1
SCHEMBL2021374 0.86 CACNA1G (0.71) MAPTCACNA1GKCNH2RECQLMAPK1
SCHEMBL2019026 0.85 MAPT (0.70) MAPTLMNASMN1; SMN2HSD17B10CACNA1G
SCHEMBL2019022 0.85 MAPT (0.70) MAPTLMNASMN1; SMN2HSD17B10CACNA1G

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 19 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-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-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO 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
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 WO 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 MAPT 2477/4885LMNA 4281/4885SMN1; SMN2 202/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 MAPT 704/4885LMNA 4579/4885SMN1; SMN2 2822/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 MAPT 2536/4885LMNA 4298/4885SMN1; SMN2 209/4885

“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.