SCHEMBL2018688

SCHEMBL2018688

O=C1Cc2cc(OC[C@H](O)CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc2N1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.82
MAPT P10636 4/20 0.55
TP53 P04637 1/20 0.55
HTR7 P34969 3/20 0.55
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAOB P27338 1/20 0.53
ADRB1 P08588 1/20 0.53
RECQL P46063 1/20 0.53
HTT P42858 1/20 0.52
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL2018690 1.00 KCNH2 (0.82) KCNH2MAPTTP53HTR7ALDH1A1
SCHEMBL2021669 1.00 KCNH2 (0.82) KCNH2MAPTTP53HTR7ALDH1A1
SCHEMBL2019897 0.92 KCNH2 (0.83) KCNH2MAPTTP53HTR7ALDH1A1
SCHEMBL2019899 0.92 KCNH2 (0.83) KCNH2MAPTTP53HTR7ALDH1A1
SCHEMBL2022382 0.92 KCNH2 (0.83) KCNH2MAPTTP53HTR7ALDH1A1
SCHEMBL2017088 0.90 KCNH2 (1.00) KCNH2MAPTHTR7LMNARECQL
SCHEMBL2017092 0.90 KCNH2 (1.00) KCNH2MAPTHTR7LMNARECQL
SCHEMBL3675211 0.90 KCNH2 (1.00) KCNH2MAPTHTR7LMNARECQL
SCHEMBL2020237 0.89 KCNH2 (0.82) KCNH2MAPTTP53HTR7ALDH1A1
SCHEMBL2020235 0.89 KCNH2 (0.82) KCNH2MAPTTP53HTR7ALDH1A1

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 14 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-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 137/4885MAPT 2477/4885TP53 4001/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885MAPT 704/4885TP53 4467/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885MAPT 2536/4885TP53 3922/4885

“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.