SCHEMBL2283004

SCHEMBL2283004

COc1ccc([C@]2(c3cccc(Nc4cccc(OC)c4)c3)COC(N)=N2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.64
CTSD P07339 10/20 0.64
HTR2B P41595 2/20 0.43
ROCK1 Q13464 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 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
SCHEMBL2282997 1.00 BACE1 (0.64) BACE1CTSDHTR2BROCK1MEN1
Formic Acid SCHEMBL2283640 0.94 BACE1 (0.57) BACE1CTSDHTR2BNPC1
SCHEMBL2282323 0.94 BACE1 (0.56) BACE1CTSDHTR2BROCK1
Formic Acid SCHEMBL2283961 0.88 BACE1 (0.52) BACE1CTSDNPC1
SCHEMBL2280463 0.86 BACE1 (0.48) BACE1CTSDHTR2BMEN1NPC1
SCHEMBL2280909 0.85 BACE1 (0.81) BACE1CTSD
SCHEMBL2280915 0.85 BACE1 (0.81) BACE1CTSD
SCHEMBL2279753 0.84 BACE1 (0.47) BACE1CTSDHTR2BROCK1
SCHEMBL2283313 0.84 BACE1 (0.47) BACE1CTSDHTR2BROCK1
SCHEMBL13761140 0.82 BACE1 (0.53) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
EP-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US 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-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES BACE2, BACE1, PSEN2 BACE1 2/4885CTSD 721/4885HTR2B 1423/4885

“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.