SCHEMBL8055345

SCHEMBL8055345

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.48
HSD11B2 P80365 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
NR1H2 P55055 1/20 0.33
HCRTR2 O43614 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13040191 1.00 SPHK1 (0.48) SPHK1HSD11B2TDP1BRD4CYP4F2
SCHEMBL8053046 1.00 SPHK1 (0.48) SPHK1HSD11B2TDP1BRD4CYP4F2
SCHEMBL16053956 0.99 SPHK1 (0.50) SPHK1HSD11B2TDP1BRD4CYP4F2
SCHEMBL7305261 0.96 SPHK1 (0.49) SPHK1HSD11B2TDP1BRD4CYP4F2
SCHEMBL6208002 0.96 SPHK1 (0.49) SPHK1HSD11B2TDP1BRD4CYP4F2
SCHEMBL6208006 0.96 SPHK1 (0.49) SPHK1HSD11B2TDP1BRD4CYP4F2
SCHEMBL1068504 0.91 SPHK1 (0.48) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL15318844 0.91 SPHK1 (0.48) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL1068506 0.91 SPHK1 (0.48) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL18959562 0.90 SPHK1 (0.60) SPHK1HSD11B2BRD4NR1H2HCRTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-04 US disclosed
WO-2009081959-A1 PROCESS FOR PRODUCTION OF 4-(SUBSTITUTED PHENYL)HEXAHYDROPYRIDO[2,1-C][1,4]OXAZIN-6-ONE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-02 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 (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-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE PSEN1, APP, BACE1 SPHK1 253/4885HSD11B2 368/4885TDP1 1765/4885

“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.