SCHEMBL4889654

SCHEMBL4889654

CC(=O)NC12CC3CC(C)(CC(Br)(C3)C1)C2

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.49
HDAC1 Q13547 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC3 O15379 3/20 0.46
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL733617 0.87 EPHX2 (0.62) EPHX2HDAC1HDAC8HDAC6HDAC3
SCHEMBL12858009 0.87 EPHX2 (0.57) EPHX2HDAC1HDAC8HDAC6HDAC3
SCHEMBL5608363 0.79 EPHX2 (0.50) EPHX2HDAC1HDAC8HDAC6HDAC3
SCHEMBL4879234 0.77 EPHX2 (0.48) EPHX2HDAC1HDAC8HDAC6HDAC3
SCHEMBL4887810 0.76 GAA (0.40) EPHX2TSHR
SCHEMBL21461244 0.76 EPHX2 (0.62) EPHX2HDAC1HDAC8HDAC6HDAC3
SCHEMBL21461245 0.76 EPHX2 (0.62) EPHX2HDAC1HDAC8HDAC6HDAC3
SCHEMBL21461246 0.76 EPHX2 (0.62) EPHX2HDAC1HDAC8HDAC6HDAC3
SCHEMBL15228444 0.76 EPHX2 (0.62) EPHX2HDAC1HDAC8HDAC6HDAC3
Acetamide SCHEMBL4785229 0.76 GRIN1 (0.45) EPHX2HDAC1HDAC8HDAC6HDAC3

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-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US disclosed
EP-1789380-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF Justus-Liebig-Universität Giessen (DE) 2007-05-30 EP disclosed
WO-2006010362-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2006-02-02 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-20080275112-A1 Invention Concerning Aminoadamantane Compounds GABRA5, GABRA1, GABRA4 EPHX2 2455/4885HDAC1 3733/4885HDAC8 3720/4885

“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.