SCHEMBL33526447

SCHEMBL33526447

Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)Cn2nc(C(F)(F)F)cc2-c2ccc(=O)n(C)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.37
ITGB7 P26010 2/20 0.37
SCN9A Q15858 7/20 0.35
CCKAR P32238 3/20 0.35
CCKBR P32239 3/20 0.35
CTSS P25774 5/20 0.35
CTSK P43235 4/20 0.35
AKT1 P31749 1/20 0.35
CTSB P07858 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
SCHEMBL31752119 0.92 ITGA4 (0.36) ITGA4ITGB7SCN9ACCKARCCKBR
SCHEMBL34466370 0.90 ITGA4 (0.39) ITGA4ITGB7SCN9ACTSSCTSK
SCHEMBL31752090 0.90 HDAC3 (0.34) CTSSCTSK
SCHEMBL31753209 0.87 SCN9A (0.34) ITGA4ITGB7SCN9ACCKARCCKBR
SCHEMBL34466727 0.87 ITGA4 (0.33) ITGA4ITGB7SCN9ACCKARCCKBR
SCHEMBL34466987 0.86 HDAC3 (0.35)
SCHEMBL34466764 0.85 CTSS (0.33) ITGA4ITGB7SCN9ACCKARCCKBR
Hydrochloric Acid SCHEMBL33527082 0.85 HDAC3 (0.34)
Bromide SCHEMBL31752139 0.85 HDAC3 (0.34)
SCHEMBL31752402 0.85 CTSS (0.37) ITGA4ITGB7SCN9ACCKARCCKBR

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
US-20260091048-A1 GIP RECEPTOR AGONIST COMPOUNDS LILLY CO ELI (US) 2026-04-02 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 (2 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-20260091048-A1 GIP RECEPTOR AGONIST COMPOUNDS GIPR, GLP1R, GPR119 ITGA4 1929/4885ITGB7 1595/4885SCN9A 504/4885
US-20260108546-A1 GIP RECEPTOR AGONIST COMPOUNDS GIPR, GLP1R, GCGR ITGA4 1300/4885ITGB7 1393/4885SCN9A 737/4885

“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.