SCHEMBL7961801

SCHEMBL7961801

CC1(C)OB(c2cccc(-n3cccc3)n2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.38
LPL P06858 7/20 0.34
LIPG Q9Y5X9 7/20 0.34

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
SCHEMBL7960539 0.84 CYP3A4 (0.39) IRAK4
SCHEMBL15254605 0.80 HRH4 (0.36) IRAK4LPLLIPG
SCHEMBL31334135 0.80 HRH4 (0.36) IRAK4LPLLIPG
SCHEMBL1506315 0.79 KDM4E (0.39) IRAK4
SCHEMBL12616248 0.78 PDE10A (0.39) IRAK4
SCHEMBL9989079 0.76 GAA (0.43) IRAK4
SCHEMBL19867650 0.76 HTR3A (0.53)
SCHEMBL4211647 0.75 LPL (0.40) IRAK4LPLLIPG
SCHEMBL17268323 0.74 CCR1 (0.45) IRAK4LPLLIPG
SCHEMBL12489475 0.73 PDE10A (0.37) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 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-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP IRAK4 4651/4885LPL 1639/4885LIPG 1531/4885

“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.