SCHEMBL30722331

SCHEMBL30722331

CC(=O)N1CCN(c2ccc(CCC(=O)O)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
GFER P55789 5/20 0.58
CASP6 P55212 1/20 0.58
MAPT P10636 8/20 0.56
GAA P10253 5/20 0.56
ALOX15 P16050 5/20 0.56
ALOX12 P18054 5/20 0.56
MAPK1 P28482 3/20 0.56
ME2 P23368 1/20 0.55
ME1 P48163 1/20 0.55
ME3 Q16798 1/20 0.55
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
HTT P42858 2/20 0.54
TDP1 Q9NUW8 2/20 0.54

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
SCHEMBL20424995 0.84 GFER (0.61) ITGB3ITGA2BGFERCASP6MAPT
SCHEMBL28512583 0.84 GFER (0.61) GFERCASP6MAPTGAAALOX15
SCHEMBL10695749 0.82 ITGB3 (0.66) ITGB3ITGA2BGFERMAPTGAA
SCHEMBL10897475 0.81 MEN1 (0.68) ITGB3ITGA2BGFERMAPTME2
SCHEMBL764335 0.81 MAPT (0.76) GFERCASP6MAPTGAAALOX15
SCHEMBL3334063 0.81 GFER (0.65) GFERCASP6MAPTGAAALOX15
SCHEMBL847349 0.81 ITGB3 (0.64) ITGB3ITGA2BGFERMAPTGAA
SCHEMBL20306323 0.80 GFER (0.59) GFERCASP6MAPTGAAALOX15
SCHEMBL7530628 0.80 LMNA (0.62) ITGB3ITGA2BMAPTGAAME2
SCHEMBL20346925 0.80 GFER (0.68) GFERCASP6MAPTGAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658667-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY Merck Sharp & Dohme LLC (US) 2025-12-10 EP disclosed
WO-2025128805-A1 A CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS MERCK SHARP & DOHME LLC (US) 2025-06-19 WO disclosed
EP-4540267-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA Merck Sharp & Dohme LLC (US) 2025-04-23 EP disclosed
CN-119866342-A Cyclic peptides for capturing interleukin-1 beta 默沙东有限责任公司 2025-04-22 CN disclosed
WO-2024163691-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC (US) 2024-08-08 WO disclosed
WO-2023244554-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 WO disclosed