SCHEMBL1760093

SCHEMBL1760093

CC(C)(C)OC(=O)N1[C@@H](CCc2ccc(NS(=O)(=O)c3cccc4cnccc34)cc2)COC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.46
▸ PKLR P30613 1/20 0.45
▸ FLT3 P36888 7/20 0.41
▸ F2 P00734 1/20 0.40
▸ PRKD3 O94806 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKCB P05771 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ PRKACG P22612 1/20 0.38
▸ PRKACB P22694 1/20 0.38
▸ PRKCH P24723 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ PRKCE Q02156 1/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ PRKCZ Q05513 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ PRKD1 Q15139 1/20 0.38
▸ KCNA5 P22460 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
SCHEMBL1760098 1.00 P2RX7 (0.46) P2RX7PKLRFLT3F2PRKD3
SCHEMBL12234403 0.81 PKLR (0.42) P2RX7PKLRFLT3F2KCNA5
SCHEMBL2696285 0.76 NAMPT (0.38) —
SCHEMBL2696288 0.76 NAMPT (0.38) —
SCHEMBL2697081 0.76 GPR119 (0.40) —
SCHEMBL2697080 0.76 GPR119 (0.40) —
SCHEMBL14350826 0.74 SPHK1 (0.42) —
SCHEMBL6924329 0.74 SPHK1 (0.42) —
SCHEMBL14338696 0.74 SPHK1 (0.42) —
SCHEMBL2694334 0.74 IGF1R (0.38) —

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
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 — — EP disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 — — WO 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 P2RX7 130/4885PKLR 1562/4885FLT3 1583/4885

“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.

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