SCHEMBL2020409

SCHEMBL2020409

O=C1CCc2cc(OCC(O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2N1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.69
MAPT P10636 3/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HSD17B10 Q99714 1/20 0.62
CACNA1G O43497 3/20 0.61
HTR7 P34969 2/20 0.55
ALDH1A1 P00352 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KIF11 P52732 1/20 0.54
RECQL P46063 2/20 0.52
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL2020408 1.00 KCNH2 (0.69) KCNH2MAPTLMNASMN1; SMN2HSD17B10
SCHEMBL2020058 0.92 KCNH2 (0.69) KCNH2MAPTLMNASMN1; SMN2HSD17B10
SCHEMBL2020053 0.92 KCNH2 (0.69) KCNH2MAPTLMNASMN1; SMN2HSD17B10
Np-10679 SCHEMBL2018279 0.91 KCNH2 (0.80) KCNH2MAPTLMNASMN1; SMN2HSD17B10
Np-10679 SCHEMBL30228906 0.91 KCNH2 (0.80) KCNH2MAPTLMNASMN1; SMN2HSD17B10
Np-10679 SCHEMBL2018281 0.91 KCNH2 (0.80) KCNH2MAPTLMNASMN1; SMN2HSD17B10
SCHEMBL4252609 0.89 KCNH2 (0.73) KCNH2MAPTLMNACACNA1GHTR7
SCHEMBL2016318 0.89 KCNH2 (0.73) KCNH2MAPTLMNACACNA1GHTR7
SCHEMBL2019829 0.88 KCNH2 (0.83) KCNH2MAPTLMNAHTR7ALDH1A1
SCHEMBL2019833 0.88 KCNH2 (0.83) KCNH2MAPTLMNAHTR7ALDH1A1

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 5 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

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 2477/4885LMNA 4281/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885MAPT 704/4885LMNA 4579/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885MAPT 2536/4885LMNA 4298/4885

“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.