SCHEMBL2020693

SCHEMBL2020693

O=C1Cc2cc(OC[C@H](O)CN3CCC(O)(Cc4ccccc4)CC3)ccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.61
GRIN2B Q13224 4/20 0.54
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
ADORA2A P29274 1/20 0.47
HTR7 P34969 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL2020697 1.00 KCNH2 (0.61) KCNH2GRIN2BGRIN2DGRIN3BADRA1D
SCHEMBL2023751 1.00 KCNH2 (0.61) KCNH2GRIN2BGRIN2DGRIN3BADRA1D
SCHEMBL2026816 0.92 KCNH2 (0.62) KCNH2GRIN2BGRIN2DGRIN3BADRA1D
SCHEMBL2023159 0.92 KCNH2 (0.62) KCNH2GRIN2BGRIN2DGRIN3BADRA1D
SCHEMBL2023161 0.92 KCNH2 (0.62) KCNH2GRIN2BGRIN2DGRIN3BADRA1D
SCHEMBL2019909 0.87 KCNH2 (0.64) KCNH2ADORA2AHTR7LMNAGAA
SCHEMBL2019912 0.87 KCNH2 (0.64) KCNH2ADORA2AHTR7LMNAGAA
SCHEMBL2021781 0.87 KCNH2 (0.64) KCNH2ADORA2AHTR7LMNAGAA
SCHEMBL2022595 0.84 KCNH2 (0.82) KCNH2HTR7LMNAL3MBTL1ALDH1A1
SCHEMBL4252519 0.84 KCNH2 (0.82) KCNH2HTR7LMNAL3MBTL1ALDH1A1

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 13 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-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-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 137/4885GRIN2B 7/4885GRIN2D 12/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885GRIN2B 2/4885GRIN2D 5/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885GRIN2B 7/4885GRIN2D 11/4885

“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.