SCHEMBL4197207

SCHEMBL4197207

O=C(CCc1ccc(O)cc1)NCCNc1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.52
GRIN2B Q13224 2/20 0.52
KCNH2 Q12809 1/20 0.52
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
GAA P10253 1/20 0.42
PCNA P12004 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GFER P55789 1/20 0.41
POLB P06746 1/20 0.41
SYK P43405 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL2016866 0.83 GRIN1 (0.73) GRIN1GRIN2BKCNH2HDAC2HDAC8
SCHEMBL8007245 0.78 MEN1 (0.53) GRIN1GRIN2BHPGDMEN1ALDH1A1
SCHEMBL2379821 0.76 KDM4E (0.65) HDAC2HDAC8GAAHPGDMAPT
SCHEMBL23008896 0.76 EPHX2 (0.46) GRIN1GRIN2BKCNH2HDAC2HDAC8
SCHEMBL12009644 0.74 PCNA (0.62) HDAC2HDAC8GAAPCNAHPGD
SCHEMBL2438478 0.72 HPGD (0.58) HDAC2HDAC8GAAHPGDALDH1A1
SCHEMBL4151976 0.71 GAA (0.74) HDAC2HDAC8GAAHPGDMEN1
SCHEMBL4151866 0.71 GAA (0.74) HDAC2HDAC8GAAHPGDMEN1
SCHEMBL2378518 0.71 TRPV1 (0.68) GAAHPGDMEN1ALDH1A1CYP3A4
SCHEMBL31363209 0.71 TRPV1 (0.68) GAAHPGDMEN1ALDH1A1CYP3A4

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
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-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
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO 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 GRIN1 1/4885GRIN2B 7/4885KCNH2 137/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 GRIN1 3/4885GRIN2B 2/4885KCNH2 469/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 GRIN1 1/4885GRIN2B 7/4885KCNH2 135/4885

“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.