SCHEMBL2019026

SCHEMBL2019026

NC(=O)Nc1ccc(OCC(O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.70
LMNA P02545 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
HSD17B10 Q99714 2/20 0.70
KCNH2 Q12809 2/20 0.66
CACNA1G O43497 3/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
HTR2A P28223 1/20 0.60
RECQL P46063 1/20 0.56
HTT P42858 1/20 0.55
HTR7 P34969 2/20 0.54
GAA P10253 2/20 0.54
SCN1A P35498 1/20 0.54
SCN5A Q14524 1/20 0.54
SCN9A Q15858 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
KDM4C Q9H3R0 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
SCHEMBL2019022 1.00 MAPT (0.70) MAPTLMNASMN1; SMN2HSD17B10KCNH2
SCHEMBL2017317 0.89 KCNH2 (0.77) MAPTLMNASMN1; SMN2HSD17B10KCNH2
SCHEMBL2017320 0.89 KCNH2 (0.77) MAPTLMNASMN1; SMN2HSD17B10KCNH2
SCHEMBL8007648 0.89 KCNH2 (0.77) MAPTLMNASMN1; SMN2HSD17B10KCNH2
SCHEMBL2017013 0.88 KCNH2 (0.69) MAPTLMNASMN1; SMN2HSD17B10KCNH2
SCHEMBL2017016 0.88 KCNH2 (0.69) MAPTLMNASMN1; SMN2HSD17B10KCNH2
SCHEMBL2014884 0.87 MAPT (0.82) MAPTLMNASMN1; SMN2KCNH2CACNA1G
SCHEMBL2014883 0.87 MAPT (0.82) MAPTLMNASMN1; SMN2KCNH2CACNA1G
SCHEMBL2047692 0.86 MAPT (0.70) MAPTLMNASMN1; SMN2HSD17B10KCNH2
SCHEMBL2047696 0.86 MAPT (0.70) MAPTLMNASMN1; SMN2HSD17B10KCNH2

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 6 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-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 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.