SCHEMBL6746240

SCHEMBL6746240

CC(C)(C)OC(=O)N1[C@@H](C[C@@H](O)c2ccc(F)cc2)COC1(C)C

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.39
BRD4 O60885 1/20 0.37
HSD11B2 P80365 1/20 0.36
TACR1 P25103 3/20 0.35
RORC P51449 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6750089 1.00 SPHK1 (0.39) SPHK1BRD4HSD11B2TACR1RORC
SCHEMBL6186125 0.89 CYP2D6 (0.42) SPHK1BRD4HSD11B2ATM
SCHEMBL6186128 0.89 CYP2D6 (0.42) SPHK1BRD4HSD11B2ATM
SCHEMBL6748179 0.84 SPHK1 (0.39) SPHK1BRD4HSD11B2GPR119ATM
SCHEMBL6748180 0.84 SPHK1 (0.39) SPHK1BRD4HSD11B2GPR119ATM
SCHEMBL6750112 0.83 SPHK1 (0.38) SPHK1BRD4HSD11B2GPR119MEN1
SCHEMBL6191324 0.83 SPHK1 (0.38) SPHK1BRD4HSD11B2GPR119MEN1
SCHEMBL6751156 0.82 SPHK1 (0.37) SPHK1BRD4HSD11B2GPR119
SCHEMBL6748024 0.82 GPR119 (0.39) SPHK1BRD4GPR119
SCHEMBL6750858 0.82 GPR119 (0.39) SPHK1BRD4GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 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-20040242871-A1 Novel arylheteroalkylamine derivatives CYP1A1, NOS3, NOS1 SPHK1 1994/4885BRD4 3935/4885HSD11B2 894/4885

“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.