SCHEMBL13656108

SCHEMBL13656108

COOSNc1ccc(OCCNCCNc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.64
GRIN2B Q13224 6/20 0.64
KCNH2 Q12809 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.45
DRD4 P21917 8/20 0.39
DRD2 P14416 7/20 0.39
DRD3 P35462 7/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR1A P08908 1/20 0.37

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
SCHEMBL13656270 0.83 GRIN1 (0.60) GRIN1GRIN2BKCNH2SMN1; SMN2DRD4
SCHEMBL8008822 0.83 GRIN1 (0.72) GRIN1GRIN2BKCNH2SMN1; SMN2DRD4
SCHEMBL13656111 0.80 GRIN1 (0.67) GRIN1GRIN2BKCNH2ALDH1A1
SCHEMBL2017364 0.78 GRIN1 (1.00) GRIN1GRIN2BKCNH2SMN1; SMN2DRD4
SCHEMBL13656132 0.76 GRIN1 (0.67) GRIN1GRIN2BALDH1A1KDM4ELMNA
SCHEMBL13656307 0.74 GRIN1 (0.50) GRIN1GRIN2BKCNH2DRD4DRD2
SCHEMBL13656204 0.73 GRIN1 (0.64) GRIN1GRIN2BKCNH2SMN1; SMN2LMNA
SCHEMBL13656210 0.71 KMT2A (0.56) GRIN1GRIN2BKCNH2ALDH1A1KDM4E
SCHEMBL13656203 0.69 GRIN1 (0.71) GRIN1GRIN2BALDH1A1
SCHEMBL9594625 0.68 GRIN1 (0.51) GRIN1GRIN2BKCNH2SMN1; SMN2DRD4

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 2 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-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 (1 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

“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.