SCHEMBL2017472

SCHEMBL2017472

CS(=O)(=O)Nc1ccc(CCC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.74
GRIN2B Q13224 2/20 0.74
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
GFER P55789 1/20 0.50
ADAMTS5 Q9UNA0 2/20 0.48
MMP2 P08253 1/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.47
MMP13 P45452 1/20 0.46
HTR1A P08908 2/20 0.46
HTR1D P28221 2/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL12575488 0.87 GRIN1 (0.56) GRIN1GRIN2BALDH1A1SMN1; SMN2LMNA
SCHEMBL2018003 0.85 GRIN1 (1.00) GRIN1GRIN2BSMN1; SMN2LMNAADAMTS5
SCHEMBL2018858 0.82 GRIN1 (0.75) GRIN1GRIN2BALDH1A1SMN1; SMN2LMNA
SCHEMBL3799394 0.81 GFER (0.74) ALDH1A1SMN1; SMN2LMNAGFERADAMTS5
SCHEMBL9077059 0.81 GRIN1 (0.52) GRIN1GRIN2BALDH1A1SMN1; SMN2LMNA
SCHEMBL13656113 0.80 GRIN1 (0.49) GRIN1GRIN2BALDH1A1SMN1; SMN2LMNA
SCHEMBL9274868 0.80 GRIN1 (0.52) GRIN1GRIN2BALDH1A1LMNAPOLB
SCHEMBL9625622 0.78 ALDH1A1 (0.68) GRIN1GRIN2BALDH1A1LMNAPOLB
SCHEMBL1388916 0.77 HTR1A (0.74) GRIN1GRIN2BALDH1A1SMN1; SMN2LMNA
SCHEMBL10360284 0.74 GRIN1 (0.49) GRIN1GRIN2BALDH1A1SMN1; SMN2LMNA

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
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-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-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
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 7/4885ALDH1A1 2664/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 GRIN1 3/4885GRIN2B 2/4885ALDH1A1 2039/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 GRIN1 1/4885GRIN2B 7/4885ALDH1A1 2668/4885

“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.