SCHEMBL2745757

SCHEMBL2745757

CC(C)(N)C(=O)N1CCC(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.43
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
DPP7 Q9UHL4 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
LIPE Q05469 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM3 Q14832 1/20 0.33
GRM5 P41594 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL15841239 0.83 ALDH1A1 (0.47) DPP4LMNAHTTNPC1
SCHEMBL19502780 0.83 DPP4 (0.43) DPP4LMNATLR9TLR8TLR7
SCHEMBL9963903 0.83 HSP90AA1 (0.41) DPP4HSP90AA1HSP90AB1LMNAHTT
SCHEMBL2745873 0.80 GAA (0.51) DPP4LMNATDP1
SCHEMBL5606073 0.80 LMNA (0.56) DPP4LMNANPC1RAB9A
SCHEMBL12452605 0.79 HSP90AA1 (0.40) DPP4HSP90AA1HSP90AB1LMNAHTT
SCHEMBL15837594 0.79 DPP4 (0.44) DPP4DPP7TLR9TLR8TLR7
SCHEMBL7926325 0.78 DPP4 (0.44) DPP4HTTNPC1RAB9A
SCHEMBL4755276 0.77 DPP4 (0.39) DPP4LMNATLR9TLR8TLR7
SCHEMBL4418452 0.77 DPP4 (0.39) DPP4HSP90AA1HSP90AB1

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-3464268-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2020-03-11 EP disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 DPP4 2434/4885HSP90AA1 4578/4885HSP90AB1 4453/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 DPP4 3743/4885HSP90AA1 4629/4885HSP90AB1 4598/4885

“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.