SCHEMBL2283648

SCHEMBL2283648

COc1ccc(C2(c3cccc(Nc4cccc(OC)c4)c3)COC(NOC=O)=N2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.43
CTSD P07339 4/20 0.43
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
MTNR1B P49286 6/20 0.38
MTNR1A P48039 4/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EGFR P00533 1/20 0.37
ERBB3 P21860 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
GALR2 O43603 1/20 0.35
GALR1 P47211 1/20 0.35

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
SCHEMBL2283970 0.94 BACE1 (0.39) BACE1CTSDAKR1C3AKR1C2MTNR1B
SCHEMBL2284060 0.88 BACE1 (0.53) BACE1CTSD
SCHEMBL2285600 0.88 NPC1 (0.39) BACE1CTSDAKR1C3AKR1C2MTNR1B
SCHEMBL2285126 0.86 EGFR (0.38) MTNR1BMTNR1AKMT2AMEN1EGFR
SCHEMBL2283610 0.86 MTNR1B (0.35) BACE1CTSDAKR1C3AKR1C2MTNR1B
SCHEMBL2284002 0.84 BACE1 (0.47) BACE1CTSDTP53MAPTPOLB
SCHEMBL2284389 0.83 BACE1 (0.52) BACE1CTSDNPC1RAB9A
SCHEMBL2282097 0.82 BACE1 (0.66) BACE1CTSDKMT2A
SCHEMBL2279579 0.82 BACE1 (0.53) BACE1CTSD
SCHEMBL2287122 0.82 BACE1 (0.54) 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 3 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
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 721/4885AKR1C3 3067/4885

“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.