SCHEMBL2018003

SCHEMBL2018003

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 12/20 1.00
GRIN2B Q13224 12/20 1.00
KCNH2 Q12809 2/20 0.56
RAB9A P51151 1/20 0.55
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MMP2 P08253 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL12575485 0.87 GRIN1 (0.77) GRIN1GRIN2BRAB9AMAPTSMN1; SMN2
SCHEMBL2017472 0.85 GRIN1 (0.74) GRIN1GRIN2BMAPTSMN1; SMN2POLB
SCHEMBL8010741 0.85 GRIN1 (0.74) GRIN1GRIN2BKCNH2MEN1KMT2A
SCHEMBL2017062 0.82 GRIN1 (1.00) GRIN1GRIN2BKCNH2RAB9AMAPT
SCHEMBL2820899 0.81 KMT2A (0.74) GRIN1GRIN2BRAB9AMAPTSMN1; SMN2
SCHEMBL2020033 0.81 GRIN1 (0.68) GRIN1GRIN2BKCNH2SMN1; SMN2LMNA
SCHEMBL13656110 0.80 GRIN1 (0.67) GRIN1GRIN2BRAB9AMAPTSMN1; SMN2
SCHEMBL9625622 0.78 ALDH1A1 (0.68) GRIN1GRIN2BMAPTPOLBMEN1
SCHEMBL18375965 0.75 RAB9A (0.79) GRIN1GRIN2BRAB9AMAPTSMN1; SMN2
SCHEMBL2020637 0.75 GRIN1 (0.72) GRIN1GRIN2BKCNH2SMN1; 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 7/4885KCNH2 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.