SCHEMBL6750858

SCHEMBL6750858

CC(C)(C)OC(=O)N1[C@@H](C[C@H](O)c2cccnc2)COC1(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.39
NAMPT P43490 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36
KDM1A O60341 1/20 0.35
BRD4 O60885 1/20 0.35
IDO1 P14902 1/20 0.35
KIT P10721 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP17A1 P05093 3/20 0.34
CYP19A1 P11511 3/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL6748024 1.00 GPR119 (0.39) GPR119NAMPTCYP3A4CYP3A5SPHK1
SCHEMBL6186128 0.88 CYP2D6 (0.42) SPHK1KDM4EBRD4
SCHEMBL6186125 0.88 CYP2D6 (0.42) SPHK1KDM4EBRD4
SCHEMBL6750129 0.86 IDO1 (0.38) ALDH1A1KDM4EHSD17B10HTTIDO1
SCHEMBL6752552 0.86 IDO1 (0.38) ALDH1A1KDM4EHSD17B10HTTIDO1
SCHEMBL6752548 0.86 IDO1 (0.38) ALDH1A1KDM4EHSD17B10HTTIDO1
SCHEMBL6750089 0.82 SPHK1 (0.39) GPR119SPHK1BRD4
SCHEMBL6746240 0.82 SPHK1 (0.39) GPR119SPHK1BRD4
SCHEMBL6748180 0.81 SPHK1 (0.39) GPR119SPHK1BRD4
SCHEMBL6748179 0.81 SPHK1 (0.39) GPR119SPHK1BRD4

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 GPR119 322/4885NAMPT 3356/4885CYP3A4 47/4885

“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.