SCHEMBL1833043

SCHEMBL1833043

CC(C)(C)OC(=O)N1[C@@H](CCC2(c3ccc(Cl)cc3)CC2)COC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
DRD2 P14416 5/20 0.39
SPHK1 Q9NYA1 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HSD11B2 P80365 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.34
CCR5 P51681 1/20 0.34
STS P08842 1/20 0.33

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
SCHEMBL1833045 1.00 BRD4 (0.45) BRD4DRD2SPHK1ALDH1A1HSD11B2
SCHEMBL6923580 0.87 BRD4 (0.38) BRD4SPHK1HSD11B2CCR5
SCHEMBL1833587 0.81 BRD4 (0.47) BRD4SPHK1ALDH1A1MEN1KMT2A
SCHEMBL1833586 0.81 BRD4 (0.47) BRD4SPHK1ALDH1A1MEN1KMT2A
SCHEMBL7312969 0.79 BRD4 (0.45) BRD4SPHK1ALDH1A1HSD11B2MEN1
SCHEMBL1835124 0.78 BRD4 (0.44) BRD4DRD2SPHK1HSD11B2MEN1
SCHEMBL2695273 0.78 BRD4 (0.46) BRD4DRD2SPHK1ALDH1A1HSD11B2
SCHEMBL1835126 0.78 BRD4 (0.44) BRD4DRD2SPHK1HSD11B2MEN1
SCHEMBL2695270 0.78 BRD4 (0.46) BRD4DRD2SPHK1ALDH1A1HSD11B2
SCHEMBL1835129 0.78 BRD4 (0.44) BRD4DRD2SPHK1HSD11B2MEN1

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 BRD4 2047/4885DRD2 111/4885SPHK1 2843/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R BRD4 2047/4885DRD2 111/4885SPHK1 2843/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R BRD4 2047/4885DRD2 111/4885SPHK1 2843/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R BRD4 2047/4885DRD2 111/4885SPHK1 2843/4885

“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.