SCHEMBL1832701

SCHEMBL1832701

CC(C)(C)OC(=O)N1C(CCOc2ccccc2)COC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.45
GPR119 Q8TDV5 6/20 0.42
ADRA1A P35348 6/20 0.39
ADRA1B P35368 6/20 0.39
HTR1A P08908 5/20 0.39
ADRA1D P25100 5/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
HSD11B2 P80365 1/20 0.38
BRD4 O60885 1/20 0.38
PDE4B Q07343 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1832699 1.00 SPHK1 (0.45) SPHK1GPR119ADRA1AADRA1BHTR1A
SCHEMBL1833586 0.89 BRD4 (0.47) SPHK1GPR119BRD4L3MBTL1
SCHEMBL1833587 0.89 BRD4 (0.47) SPHK1GPR119BRD4L3MBTL1
SCHEMBL3612715 0.89 SPHK1 (0.44) SPHK1GPR119HSD11B2BRD4
SCHEMBL19357528 0.89 SPHK1 (0.44) SPHK1GPR119HSD11B2BRD4
SCHEMBL3612721 0.89 SPHK1 (0.44) SPHK1GPR119HSD11B2BRD4
SCHEMBL1836162 0.86 SPHK1 (0.42) SPHK1GPR119BRD4L3MBTL1
SCHEMBL1836163 0.86 SPHK1 (0.42) SPHK1GPR119BRD4L3MBTL1
SCHEMBL14350826 0.84 SPHK1 (0.42) SPHK1GPR119HSD11B2BRD4
SCHEMBL14338696 0.84 SPHK1 (0.42) SPHK1GPR119HSD11B2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8357712-B2 2013-01-22 US disclosed
US-8242153-B2 4,5-dihydro-oxazol-2YL derivatives HOFFMANN-LA ROCHE INC. (US) 2012-08-14 US disclosed
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO (DE) 2012-06-28 US disclosed
US-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO 2011-06-16 US disclosed
EP-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 US disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 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 (4 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-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SPHK1 2843/4885GPR119 5/4885ADRA1A 49/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SPHK1 2843/4885GPR119 5/4885ADRA1A 49/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SPHK1 2843/4885GPR119 5/4885ADRA1A 49/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SPHK1 2843/4885GPR119 5/4885ADRA1A 49/4885

“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.