SCHEMBL2286475

SCHEMBL2286475

COc1ccc(C2(c3ccc(F)c(-c4cccnc4)c3)COC(NOC=O)=N2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.41
CTSD P07339 6/20 0.41
BACE2 Q9Y5Z0 4/20 0.40
ABCB1 P08183 6/20 0.38
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP17A1 P05093 2/20 0.36
CYP3A4 P08684 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
ABCC1 P33527 3/20 0.36
ACLY P53396 1/20 0.36
CYP19A1 P11511 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 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
SCHEMBL2285187 0.90 BACE1 (0.40) BACE1CTSDBACE2MEN1KMT2A
SCHEMBL2284435 0.90 CTSD (0.48) BACE1CTSD
SCHEMBL2282031 0.89 BACE1 (0.39) BACE1CTSDBACE2
SCHEMBL2278985 0.89 BACE1 (0.42) BACE1CTSDBACE2CYP11B1CYP11B2
SCHEMBL2286947 0.85 BACE1 (0.42) BACE1CTSDMEN1POLBKMT2A
Formic Acid SCHEMBL2286466 0.85 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL2284326 0.84 BACE1 (0.42) BACE1CTSDBACE2
SCHEMBL2287058 0.84 BACE1 (0.51) BACE1CTSDBACE2ABCB1ABCC1
SCHEMBL2281803 0.83 BACE1 (0.58) BACE1CTSDBACE2CYP11B1CYP11B2
SCHEMBL2281795 0.83 BACE1 (0.58) BACE1CTSDBACE2CYP11B1CYP11B2

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 721/4885BACE2 1/4885

“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.