SCHEMBL552139

SCHEMBL552139

CC1(C)OB(c2cncc(CNCC3CC3)c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
F11 P03951 1/20 0.35
LPL P06858 3/20 0.33
LIPG Q9Y5X9 3/20 0.33
FFAR1 O14842 1/20 0.33
CXCR4 P61073 1/20 0.33
KCNH2 Q12809 2/20 0.33
CYP2D6 P10635 1/20 0.33
GRIN2B Q13224 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
HTR1A P08908 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
DGAT1 O75907 1/20 0.31
LTA4H P09960 1/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL553104 0.82 LPL (0.43) GSK3AGSK3BF11LPLLIPG
SCHEMBL3798379 0.79 LPL (0.38) GSK3AGSK3BF11LPLLIPG
SCHEMBL552526 0.79 AAK1 (0.35) GSK3AGSK3BF11LPLLIPG
SCHEMBL552720 0.79 FFAR1 (0.37) GSK3AGSK3BF11LPLLIPG
SCHEMBL552417 0.78 LPL (0.34) GSK3AGSK3BF11LPLLIPG
SCHEMBL552832 0.77 L3MBTL1 (0.36) GSK3AGSK3BF11LPLLIPG
SCHEMBL28982337 0.76 CYP11B2 (0.42) GSK3AGSK3BF11LPLLIPG
SCHEMBL22364159 0.76 GSK3A (0.41) GSK3AGSK3BF11LPLLIPG
SCHEMBL31327281 0.76 CYP11B2 (0.42) GSK3AGSK3BF11LPLLIPG
SCHEMBL2026626 0.76 F11 (0.42) GSK3AGSK3BF11LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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 (2 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA GSK3A 117/4885GSK3B 118/4885F11 3450/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA GSK3A 117/4885GSK3B 118/4885F11 3450/4885

“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.