SCHEMBL8006341

SCHEMBL8006341

CS(=O)(=O)Nc1ccc(OCCNCCCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.71
GRIN1 Q05586 6/20 0.71
GRIN2B Q13224 6/20 0.71
SLC6A2 P23975 1/20 0.62
SLC6A3 Q01959 1/20 0.62
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL12640606 0.87 GRIN1 (0.82) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL2017364 0.83 GRIN1 (1.00) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL8013074 0.82 GRIN1 (0.72) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL2020842 0.82 GRIN1 (1.00) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
N-Desmethyldofetilide SCHEMBL7853191 0.81 KCNH2 (0.64) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL8018366 0.80 GRIN1 (0.71) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL6571893 0.80 KCNH2 (0.78) KCNH2GRIN1GRIN2BCYP1A2CYP3A4
SCHEMBL1422219 0.79 GRIN1 (1.00) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6573634 0.79 KCNH2 (0.77) KCNH2GRIN1GRIN2BCYP1A2CYP3A4
SCHEMBL12640641 0.77 GRIN1 (1.00) KCNH2GRIN1GRIN2BSLC6A2SLC6A3

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
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
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 (2 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 137/4885GRIN1 1/4885GRIN2B 7/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885GRIN1 3/4885GRIN2B 2/4885

“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.