SCHEMBL2023971

SCHEMBL2023971

N#Cc1ccccc1N1CCN(CC(O)COc2ccc3[nH]c(=O)ccc3c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.66
HSP90AB1 P08238 1/20 0.54
HTR1A P08908 4/20 0.52
HTR7 P34969 4/20 0.52
DRD2 P14416 4/20 0.52
MAPT P10636 2/20 0.49
ABCB1 P08183 4/20 0.48
KDM4E B2RXH2 1/20 0.48
DRD4 P21917 1/20 0.47
DRD3 P35462 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
SCHEMBL2023970 1.00 KCNH2 (0.66) KCNH2HSP90AB1HTR1AHTR7DRD2
SCHEMBL2021579 0.88 KCNH2 (0.75) KCNH2HTR1AHTR7DRD2MAPT
SCHEMBL2021576 0.88 KCNH2 (0.75) KCNH2HTR1AHTR7DRD2MAPT
SCHEMBL2022015 0.87 KCNH2 (0.68) KCNH2MAPTABCB1
SCHEMBL2022012 0.87 KCNH2 (0.68) KCNH2MAPTABCB1
SCHEMBL2021942 0.87 KCNH2 (0.68) KCNH2HTR1AHTR7DRD2MAPT
SCHEMBL2024246 0.87 KCNH2 (0.68) KCNH2HTR1AHTR7DRD2MAPT
SCHEMBL2021940 0.87 KCNH2 (0.68) KCNH2HTR1AHTR7DRD2MAPT
SCHEMBL2017439 0.85 KCNH2 (0.82) KCNH2HTR7MAPTKDM4E
SCHEMBL2024416 0.85 KCNH2 (0.82) KCNH2HTR7MAPTKDM4E

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 KCNH2 137/4885HSP90AB1 3316/4885HTR1A 1304/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885HSP90AB1 4207/4885HTR1A 68/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885HSP90AB1 3321/4885HTR1A 1268/4885

“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.