SCHEMBL1759681

SCHEMBL1759681

CC(CCC1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.36
HSD11B2 P80365 1/20 0.35
NR1H2 P55055 1/20 0.32
JAK3 P52333 1/20 0.32
TACR1 P25103 3/20 0.32
NOTCH1 P46531 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
NAMPT P43490 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL1759679 1.00 SPHK1 (0.38) SPHK1NPC1ALDH1A1MAPTMAPK1
SCHEMBL502795 0.83 SPHK1 (0.41) SPHK1ALDH1A1MAPTBRD4HSD11B2
SCHEMBL502794 0.83 SPHK1 (0.41) SPHK1ALDH1A1MAPTBRD4HSD11B2
SCHEMBL1835129 0.78 BRD4 (0.44) SPHK1HTTBRD4HSD11B2KCNK3
SCHEMBL1835126 0.78 BRD4 (0.44) SPHK1HTTBRD4HSD11B2KCNK3
SCHEMBL1835124 0.78 BRD4 (0.44) SPHK1HTTBRD4HSD11B2KCNK3
SCHEMBL24074505 0.76 SPHK1 (0.47) SPHK1BRD4HSD11B2NR1H2NAMPT
SCHEMBL5063645 0.76 SPHK1 (0.49) SPHK1BRD4HSD11B2NR1H2NAMPT
SCHEMBL14704757 0.76 SPHK1 (0.49) SPHK1BRD4HSD11B2NR1H2NAMPT
SCHEMBL13110172 0.76 SPHK1 (0.49) SPHK1BRD4HSD11B2NR1H2NAMPT

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 SPHK1 3496/4885NPC1 785/4885ALDH1A1 325/4885

“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.