SCHEMBL3044285

SCHEMBL3044285

CC1(C)OB(c2ccc3ncn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.41
LIPG Q9Y5X9 7/20 0.41
IRAK4 Q9NWZ3 1/20 0.38
EGFR P00533 2/20 0.36
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
DGAT1 O75907 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
P4HB P07237 1/20 0.33
HIF1A Q16665 1/20 0.32
ROCK1 Q13464 1/20 0.32
SNCA P37840 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL3040210 0.90 LPL (0.41) LPLLIPGIRAK4EGFRIDO1
SCHEMBL18130872 0.83 IRAK4 (0.39) LPLLIPGIRAK4EGFRIDO1
SCHEMBL3051285 0.81 NPC1 (0.32) LPLLIPG
SCHEMBL3050504 0.81 NPC1 (0.32) LPLLIPG
SCHEMBL14765095 0.79 HTT (0.52) LPLLIPG
SCHEMBL793442 0.78 LIPG (0.41) LPLLIPGIRAK4EGFRIDO1
SCHEMBL13028373 0.76 DYRK1A (0.42) LPLLIPGIRAK4EGFRIDO1
SCHEMBL29520198 0.76 DYRK1A (0.42) LPLLIPGIRAK4EGFRIDO1
SCHEMBL12502467 0.76 IDO1 (0.38) LPLLIPGIRAK4EGFRIDO1
SCHEMBL15333687 0.76 CYP11B1 (0.52) LPLLIPG

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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
EP-2049481-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 LPL 4007/4885LIPG 4632/4885IRAK4 1481/4885

“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.