SCHEMBL2696285

SCHEMBL2696285

CC(C)(C)OC(=O)N1[C@@H](CCc2ccc(Nc3ccccc3)cc2)COC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
BRD4 O60885 1/20 0.37
PTPN1 P18031 1/20 0.37
NR1H2 P55055 1/20 0.36
HSD11B2 P80365 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
DRD2 P14416 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL2696288 1.00 NAMPT (0.38) NAMPTSPHK1BRD4PTPN1NR1H2
SCHEMBL2695270 0.91 BRD4 (0.46) SPHK1BRD4HSD11B2DRD2
SCHEMBL2695273 0.91 BRD4 (0.46) SPHK1BRD4HSD11B2DRD2
SCHEMBL6924329 0.91 SPHK1 (0.42) SPHK1BRD4HSD11B2KDM4EPKM
SCHEMBL14350826 0.91 SPHK1 (0.42) SPHK1BRD4HSD11B2KDM4EPKM
SCHEMBL14338696 0.91 SPHK1 (0.42) SPHK1BRD4HSD11B2KDM4EPKM
SCHEMBL1760152 0.85 BRD4 (0.41) SPHK1BRD4NR1H2HSD11B2KDM4E
SCHEMBL1760155 0.85 BRD4 (0.41) SPHK1BRD4NR1H2HSD11B2KDM4E
SCHEMBL7686350 0.85 SPHK1 (0.41) SPHK1BRD4HSD11B2KDM4E
SCHEMBL3617796 0.84 SPHK1 (0.41) SPHK1BRD4HSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635560-B1 DIHYDROOXAZOL-2-AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-30 EP disclosed
US-8673950-B2 Dihydrooxazol-2-amine derivatives HOFFMANN-LAROCHE INC. (US) 2014-03-18 US disclosed
US-20130345241-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
EP-2635560-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-09-11 EP disclosed
WO-2012059371-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-10 WO disclosed
US-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-03 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 (2 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-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES TAAR1, TAAR5, HCRTR1 NAMPT 1951/4885SPHK1 1701/4885BRD4 1535/4885
US-20130345241-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES TAAR1, TAAR5, HCRTR1 NAMPT 2003/4885SPHK1 1672/4885BRD4 1629/4885

“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.