SCHEMBL7997181

SCHEMBL7997181

CCCCOc1ccc(OCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 9/20 0.72
GRIN2B Q13224 9/20 0.72
RECQL P46063 2/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KCNH2 Q12809 2/20 0.52
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL2020386 0.87 GRIN1 (0.73) GRIN1GRIN2BMEN1KMT2AKCNH2
SCHEMBL2018740 0.84 GRIN1 (1.00) GRIN1GRIN2BMEN1KMT2AKCNH2
SCHEMBL13656111 0.82 GRIN1 (0.67) GRIN1GRIN2BMEN1KMT2AKCNH2
SCHEMBL28668110 0.81 ALDH1A1 (0.60) GRIN1GRIN2BRECQLTSHRMEN1
SCHEMBL2018384 0.81 GRIN1 (0.65) GRIN1GRIN2BMEN1KMT2AKCNH2
SCHEMBL8008822 0.80 GRIN1 (0.72) GRIN1GRIN2BRECQLTSHRKMT2A
SCHEMBL19555741 0.80 ALDH1A1 (0.59) GRIN1GRIN2BRECQLTSHRMEN1
SCHEMBL8018391 0.80 GRIN1 (1.00) GRIN1GRIN2BKCNH2ALDH1A1
SCHEMBL12575509 0.79 GRIN1 (0.76) GRIN1GRIN2BMEN1KMT2AALDH1A1
SCHEMBL25811671 0.79 ALDH1A1 (0.63) GRIN1GRIN2BRECQLTSHRMEN1

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 5 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
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO 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 (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-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 GRIN1 1/4885GRIN2B 7/4885RECQL 3190/4885

“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.