SCHEMBL2047696

SCHEMBL2047696

Cc1cccc(N2CCN(CC(O)COc3ccc(NC(N)=O)cc3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.70
MAPK1 P28482 2/20 0.70
NLRP3 Q96P20 1/20 0.70
KCNH2 Q12809 2/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
HTT P42858 1/20 0.62
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
ADRB3 P13945 1/20 0.60
RECQL P46063 1/20 0.59
HTR7 P34969 3/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPSR1 Q6W5P4 1/20 0.58
CACNA1G O43497 2/20 0.56
TP53 P04637 1/20 0.56
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 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
SCHEMBL2047692 1.00 MAPT (0.70) MAPTMAPK1NLRP3KCNH2MEN1
SCHEMBL2014884 0.89 MAPT (0.82) MAPTMAPK1NLRP3KCNH2MEN1
SCHEMBL2014883 0.89 MAPT (0.82) MAPTMAPK1NLRP3KCNH2MEN1
SCHEMBL2017013 0.89 KCNH2 (0.69) MAPTMAPK1NLRP3KCNH2MEN1
SCHEMBL2017016 0.89 KCNH2 (0.69) MAPTMAPK1NLRP3KCNH2MEN1
SCHEMBL2019209 0.88 KCNH2 (0.81) MAPTKCNH2MEN1KMT2AHTT
SCHEMBL2021319 0.88 KCNH2 (0.81) MAPTKCNH2MEN1KMT2AHTT
SCHEMBL2019206 0.88 KCNH2 (0.81) MAPTKCNH2MEN1KMT2AHTT
SCHEMBL2021188 0.88 KCNH2 (0.81) MAPTMAPK1KCNH2MEN1KMT2A
SCHEMBL2014909 0.88 KCNH2 (0.81) MAPTMAPK1KCNH2MEN1KMT2A

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 2477/4885MAPK1 1402/4885NLRP3 1037/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 MAPT 704/4885MAPK1 3223/4885NLRP3 2320/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 MAPT 2536/4885MAPK1 1307/4885NLRP3 1096/4885

“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.