SCHEMBL6924329

SCHEMBL6924329

CC(C)(C)OC(=O)N1[C@@H](CCc2ccccc2)COC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.42
BRD4 O60885 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
STS P08842 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HSD11B2 P80365 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC18A2 Q05940 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL14350826 1.00 SPHK1 (0.42) SPHK1BRD4GPR119STSKDM4E
SCHEMBL14338696 1.00 SPHK1 (0.42) SPHK1BRD4GPR119STSKDM4E
SCHEMBL2696285 0.91 NAMPT (0.38) SPHK1BRD4GPR119KDM4EPKM
SCHEMBL2696288 0.91 NAMPT (0.38) SPHK1BRD4GPR119KDM4EPKM
SCHEMBL1760152 0.90 BRD4 (0.41) SPHK1BRD4GPR119KDM4EPKM
SCHEMBL1760155 0.90 BRD4 (0.41) SPHK1BRD4GPR119KDM4EPKM
SCHEMBL7686350 0.90 SPHK1 (0.41) SPHK1BRD4KDM4EHSD11B2
SCHEMBL3617796 0.89 SPHK1 (0.41) SPHK1BRD4HSD11B2
SCHEMBL502795 0.89 SPHK1 (0.41) SPHK1BRD4GPR119HSD11B2
SCHEMBL3617792 0.89 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 US disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 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-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R SPHK1 3496/4885BRD4 1691/4885GPR119 13/4885

“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.