SCHEMBL2023657

SCHEMBL2023657

NC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)C2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.68
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTR7 P34969 1/20 0.46
HTT P42858 1/20 0.45
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CACNA1G O43497 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.41

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
SCHEMBL2023658 1.00 KCNH2 (0.68) KCNH2MAPTLMNASMN1; SMN2KMT2A
SCHEMBL12576482 0.90 MAPT (0.68) KCNH2MAPTLMNASMN1; SMN2KMT2A
SCHEMBL14864581 0.89 MAPT (0.55) KCNH2MAPTLMNASMN1; SMN2KMT2A
SCHEMBL2025770 0.84 KCNH2 (0.61) KCNH2MAPTLMNASMN1; SMN2KMT2A
SCHEMBL2025768 0.84 KCNH2 (0.61) KCNH2MAPTLMNASMN1; SMN2KMT2A
SCHEMBL2016782 0.83 KCNH2 (0.68) KCNH2MAPTLMNASMN1; SMN2HTR7
SCHEMBL2016784 0.83 KCNH2 (0.68) KCNH2MAPTLMNASMN1; SMN2HTR7
SCHEMBL12577213 0.83 TSHR (0.53) KCNH2MAPTLMNASMN1; SMN2KMT2A
SCHEMBL8091315 0.83 KCNH2 (0.46) KCNH2MAPTNPC1
SCHEMBL4258171 0.81 KCNH2 (1.00) KCNH2MAPTLMNASMN1; SMN2KMT2A

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 17 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-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO 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
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US 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 (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.