SCHEMBL12640606

SCHEMBL12640606

CS(=O)(=O)Nc1ccc(OCCNCCOc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 11/20 0.82
GRIN2B Q13224 11/20 0.82
KCNH2 Q12809 3/20 0.82
DRD2 P14416 4/20 0.57
DRD3 P35462 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
DRD4 P21917 3/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL2017364 0.90 GRIN1 (1.00) GRIN1GRIN2BKCNH2DRD2DRD3
SCHEMBL8018366 0.87 GRIN1 (0.71) GRIN1GRIN2BKCNH2DRD2DRD3
SCHEMBL8006341 0.87 KCNH2 (0.71) GRIN1GRIN2BKCNH2SLC6A2SLC6A3
SCHEMBL2017498 0.85 GRIN1 (1.00) GRIN1GRIN2BKCNH2SMN1; SMN2SLC6A2
SCHEMBL12640641 0.84 GRIN1 (1.00) GRIN1GRIN2BKCNH2DRD2DRD3
SCHEMBL12640605 0.81 GRIN1 (0.76) GRIN1GRIN2BKCNH2DRD2DRD3
SCHEMBL9387271 0.80 NPC1 (0.68) GRIN1GRIN2BKCNH2DRD2DRD3
SCHEMBL2022989 0.80 GRIN1 (0.76) GRIN1GRIN2BKCNH2SLC6A2SLC6A3
N-Desmethyldofetilide SCHEMBL7853191 0.80 KCNH2 (0.64) GRIN1GRIN2BKCNH2DRD3SMN1; SMN2
SCHEMBL9389817 0.77 NPC1 (0.67) GRIN1GRIN2BKCNH2DRD2DRD3

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-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-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-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

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.