SCHEMBL552697

SCHEMBL552697

CC(C)NCc1cncc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
LPL P06858 8/20 0.36
LIPG Q9Y5X9 8/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
F11 P03951 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
DYRK1A Q13627 1/20 0.34
FFAR1 O14842 1/20 0.33
ESR2 Q92731 1/20 0.33
P2RX7 Q99572 1/20 0.31
DGAT1 O75907 2/20 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
SCHEMBL3798379 0.84 LPL (0.38) LPLLIPGGSK3AGSK3BF11
SCHEMBL552526 0.83 AAK1 (0.35) LPLLIPGGSK3AGSK3BF11
SCHEMBL553104 0.81 LPL (0.43) LPLLIPGGSK3AGSK3BF11
SCHEMBL2428673 0.79 LIPG (0.45) LPLLIPGGSK3AGSK3BF11
SCHEMBL31327281 0.78 CYP11B2 (0.42) LPLLIPGGSK3AGSK3BF11
SCHEMBL552720 0.78 FFAR1 (0.37) LPLLIPGGSK3AGSK3BF11
SCHEMBL22364159 0.78 GSK3A (0.41) LPLLIPGGSK3AGSK3BF11
SCHEMBL28982337 0.78 CYP11B2 (0.42) LPLLIPGGSK3AGSK3BF11
SCHEMBL2026626 0.77 F11 (0.42) LPLLIPGGSK3AGSK3BF11
SCHEMBL3616652 0.77 LPL (0.56) LPLLIPGF11ESR2

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 KCNH2 1534/4885LPL 4845/4885LIPG 4457/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA KCNH2 1534/4885LPL 4845/4885LIPG 4457/4885

“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.