SCHEMBL2022015

SCHEMBL2022015

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

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.68
ABCB1 P08183 17/20 0.61
MAPT P10636 1/20 0.55

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
SCHEMBL2022012 1.00 KCNH2 (0.68) KCNH2ABCB1MAPT
SCHEMBL2021579 0.90 KCNH2 (0.75) KCNH2MAPT
SCHEMBL2021576 0.90 KCNH2 (0.75) KCNH2MAPT
SCHEMBL2024246 0.89 KCNH2 (0.68) KCNH2MAPT
SCHEMBL2021942 0.89 KCNH2 (0.68) KCNH2MAPT
SCHEMBL2021940 0.89 KCNH2 (0.68) KCNH2MAPT
SCHEMBL2023970 0.87 KCNH2 (0.66) KCNH2ABCB1MAPT
SCHEMBL2023971 0.87 KCNH2 (0.66) KCNH2ABCB1MAPT
SCHEMBL2017441 0.87 KCNH2 (0.82) KCNH2MAPT
SCHEMBL2017439 0.87 KCNH2 (0.82) KCNH2MAPT

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
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
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 137/4885ABCB1 2227/4885MAPT 2477/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885ABCB1 2367/4885MAPT 704/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885ABCB1 2170/4885MAPT 2536/4885

“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.