SCHEMBL2017208

SCHEMBL2017208

COc1ccc(N2CCN(CC(O)COc3ccc4c(c3)CCC(=O)N4)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.82
MAPT P10636 9/20 0.68
ALDH1A1 P00352 1/20 0.68
POLB P06746 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTR7 P34969 1/20 0.56

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
SCHEMBL2017206 1.00 KCNH2 (0.82) KCNH2MAPTALDH1A1POLBTDP1
SCHEMBL10570672 0.93 KCNH2 (0.72) KCNH2MAPTALDH1A1POLBTDP1
SCHEMBL2016592 0.92 KCNH2 (0.82) KCNH2MAPTALDH1A1POLBTDP1
SCHEMBL2020793 0.92 KCNH2 (0.82) KCNH2MAPTALDH1A1POLBTDP1
SCHEMBL2016595 0.92 KCNH2 (0.82) KCNH2MAPTALDH1A1POLBTDP1
SCHEMBL2024563 0.91 KCNH2 (0.82) KCNH2MAPTALDH1A1POLBTDP1
SCHEMBL2024566 0.91 KCNH2 (0.82) KCNH2MAPTALDH1A1POLBTDP1
SCHEMBL2026168 0.91 KCNH2 (0.84) KCNH2MAPTALDH1A1POLBTDP1
SCHEMBL2026171 0.91 KCNH2 (0.84) KCNH2MAPTALDH1A1POLBTDP1
SCHEMBL2019976 0.91 KCNH2 (0.83) KCNH2MAPTALDH1A1POLBTDP1

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 7 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
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 137/4885MAPT 2477/4885ALDH1A1 2664/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885MAPT 704/4885ALDH1A1 2039/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885MAPT 2536/4885ALDH1A1 2668/4885

“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.