SCHEMBL13656307

SCHEMBL13656307

COOSNc1ccc(CCCNCCNc2ccc(C)c(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.50
KCNH2 Q12809 2/20 0.50
GRIN2B Q13224 2/20 0.50
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
DRD3 P35462 2/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX2 P34913 2/20 0.35
STK17A Q9UEE5 2/20 0.35
STK17B O94768 1/20 0.35
HPGD P15428 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
ICMT O60725 1/20 0.33

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 0.91 GRIN1 (0.60) GRIN1KCNH2GRIN2BDRD2DRD4
SCHEMBL13656108 0.74 GRIN1 (0.64) GRIN1KCNH2GRIN2BDRD2DRD4
SCHEMBL13656204 0.72 GRIN1 (0.64) GRIN1KCNH2GRIN2BMAPTPOLB
SCHEMBL13656223 0.68 PYGL (0.60) GRIN1KCNH2GRIN2BPOLBLMNA
SCHEMBL2522557 0.67 ALDH1A1 (0.52) DRD2DRD4MAPTALDH1A1CYP1A2
SCHEMBL1422219 0.67 GRIN1 (1.00) GRIN1KCNH2GRIN2B
SCHEMBL14864575 0.67 GRIN1 (0.60) GRIN1KCNH2GRIN2BDRD2DRD4
SCHEMBL13656309 0.66 GRIN1 (0.57) GRIN1KCNH2GRIN2BMAPTALDH1A1
Hydrochloric Acid SCHEMBL6071168 0.66 ALDH1A1 (0.51) DRD2DRD4MAPTALDH1A1CYP1A2
SCHEMBL13656115 0.65 HTR7 (0.46) GRIN1GRIN2BDRD2DRD4MAPT

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 1/4885KCNH2 137/4885GRIN2B 7/4885

“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.