SCHEMBL8007044

SCHEMBL8007044

O=C1CCc2ccc(OC[C@@H](O)CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2N1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.73
HTR7 P34969 3/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TP53 P04637 1/20 0.54
RECQL P46063 1/20 0.52
DRD2 P14416 6/20 0.52
HTT P42858 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51

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
SCHEMBL2022382 0.94 KCNH2 (0.83) KCNH2HTR7MAPTALDH1A1LMNA
SCHEMBL2019899 0.94 KCNH2 (0.83) KCNH2HTR7MAPTALDH1A1LMNA
SCHEMBL2019897 0.94 KCNH2 (0.83) KCNH2HTR7MAPTALDH1A1LMNA
SCHEMBL8009355 0.91 KCNH2 (0.88) KCNH2HTR7MAPTALDH1A1LMNA
SCHEMBL10573068 0.91 KCNH2 (0.88) KCNH2HTR7MAPTALDH1A1LMNA
SCHEMBL10570672 0.87 KCNH2 (0.72) KCNH2MAPTALDH1A1DRD2DRD4
SCHEMBL2018688 0.87 KCNH2 (0.82) KCNH2HTR7MAPTALDH1A1LMNA
SCHEMBL10571529 0.87 KCNH2 (0.72) KCNH2MAPTALDH1A1LMNA
SCHEMBL2021669 0.87 KCNH2 (0.82) KCNH2HTR7MAPTALDH1A1LMNA
SCHEMBL2018690 0.87 KCNH2 (0.82) KCNH2HTR7MAPTALDH1A1LMNA

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
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 WO 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 (1 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-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885HTR7 435/4885MAPT 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.