SCHEMBL13602468

SCHEMBL13602468

CC(C)(C)OC(=O)N1CCC(CCN2C(=O)CCc3c(CC4SC(=O)NC4=O)cccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.39
▸ P2RX7 Q99572 3/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ UTS2R Q9UKP6 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL8445400 0.71 CHRM2 (0.62) GPR119KDM4EPKM
SCHEMBL5349149 0.68 UTS2R (0.45) GPR119UTS2RKDM4EPKM
SCHEMBL8825578 0.67 ACHE (0.64) GPR119KDM4EPKM
SCHEMBL29890980 0.67 ACHE (0.64) GPR119KDM4EPKM
SCHEMBL6150378 0.67 BACE1 (0.51) GPR119DDB1CRBNKDM4EPKM
SCHEMBL8445327 0.66 GPR119 (0.48) GPR119KDM4EPKM
SCHEMBL29554785 0.65 KDM4E (0.45) GPR119DDB1CRBNKDM4EPKM
SCHEMBL28901610 0.65 KDM4E (0.45) GPR119DDB1CRBNKDM4EPKM
SCHEMBL31161656 0.65 GPR119 (0.54) GPR119KDM4EPKM
SCHEMBL25582890 0.65 CRBN (0.54) DDB1CRBN

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-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB GPR119 2191/4885P2RX7 4512/4885DDB1 278/4885

“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.

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