SCHEMBL1760152

SCHEMBL1760152

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
HSD11B2 P80365 1/20 0.38
GPR119 Q8TDV5 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PTGER4 P35408 2/20 0.33
NR1H2 P55055 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 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
SCHEMBL1760155 1.00 BRD4 (0.41) BRD4SPHK1HSD11B2GPR119SMN1; SMN2
SCHEMBL14338696 0.90 SPHK1 (0.42) BRD4SPHK1HSD11B2GPR119KDM4E
SCHEMBL6924329 0.90 SPHK1 (0.42) BRD4SPHK1HSD11B2GPR119KDM4E
SCHEMBL14350826 0.90 SPHK1 (0.42) BRD4SPHK1HSD11B2GPR119KDM4E
SCHEMBL7686350 0.89 SPHK1 (0.41) BRD4SPHK1HSD11B2KDM4E
SCHEMBL502794 0.88 SPHK1 (0.41) BRD4SPHK1HSD11B2GPR119SMN1; SMN2
SCHEMBL3617792 0.88 SPHK1 (0.41) BRD4SPHK1HSD11B2KMT2AMEN1
SCHEMBL3617796 0.88 SPHK1 (0.41) BRD4SPHK1HSD11B2KMT2AMEN1
SCHEMBL502795 0.88 SPHK1 (0.41) BRD4SPHK1HSD11B2GPR119SMN1; SMN2
SCHEMBL2696285 0.85 NAMPT (0.38) BRD4SPHK1HSD11B2GPR119KDM4E

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 BRD4 1691/4885SPHK1 3496/4885HSD11B2 1089/4885

“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.