SCHEMBL31753684

SCHEMBL31753684

CC(C)(Cn1nc(C(F)(F)F)cc1C1CCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
GRIA2 P42262 1/20 0.38
GAA P10253 1/20 0.36
CRACR2A Q9BSW2 3/20 0.35
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ORAI1 Q96D31 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL33526676 0.96 POLB (0.48) POLBGRIN1GRIN2ACNR1CNR2
SCHEMBL33527410 0.91 POLB (0.44) POLBGRIN1GRIN2ACNR1CNR2
SCHEMBL33527256 0.81 LMNA (0.48) POLBGAATP53L3MBTL1
SCHEMBL31752066 0.80 TP53 (0.37) POLBCNR2GAAHDAC4HDAC6
SCHEMBL31753407 0.79 GRN (0.41) POLBCNR1CNR2TP53L3MBTL1
SCHEMBL33526182 0.79 L3MBTL1 (0.39) POLBCNR2GAATP53L3MBTL1
SCHEMBL33526846 0.78 CARM1 (0.39) POLBCNR1CNR2TP53L3MBTL1
SCHEMBL31753527 0.78 TP53 (0.38) POLBCNR1CNR2GAATP53
SCHEMBL31752359 0.78 TP53 (0.36) POLBCNR2GAAHDAC4HDAC6
SCHEMBL33526694 0.78 TP53 (0.36) POLBCNR2GAAHDAC4HDAC6

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-20260108546-A1 GIP RECEPTOR AGONIST COMPOUNDS LILLY CO ELI (US) 2026-04-23 US disclosed
WO-2025264700-A1 GIP RECEPTOR AGONIST COMPOUNDS ELI LILLY AND COMPANY (US) 2025-12-26 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-20260108546-A1 GIP RECEPTOR AGONIST COMPOUNDS GIPR, GLP1R, GCGR POLB 4770/4885GRIN1 1272/4885GRIN2A 1501/4885

“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.