SCHEMBL611435

SCHEMBL611435

C#CCCC#CNC12CC3CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.50
GRIN3B O60391 3/20 0.50
GRIN1 Q05586 3/20 0.50
GRIN2A Q12879 3/20 0.50
GRIN2B Q13224 3/20 0.50
GRIN2C Q14957 3/20 0.50
GRIN3A Q8TCU5 3/20 0.50
EPHX2 P34913 8/20 0.41
HDAC8 Q9BY41 5/20 0.36
HDAC6 Q9UBN7 5/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC3 O15379 3/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL611019 0.77 EPHX2 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL608508 0.77 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28475496 0.70 GRIN1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL292647 0.68 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1072142 0.66 GRIN1 (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8061377 0.66 GRIN1 (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1150387 0.65 GRIN1 (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL292343 0.65 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18425446 0.64 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18426917 0.64 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 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-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM GSR, GRIN1, GRIN2A GRIN2D 9/4885GRIN3B 5/4885GRIN1 2/4885

“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.