SCHEMBL5524504

SCHEMBL5524504

Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(=O)n(CC2CCCCC2)c1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.71
CNR2 P34972 8/20 0.71
L3MBTL1 Q9Y468 1/20 0.47
ITGB1 P05556 2/20 0.46
ITGA4 P13612 2/20 0.46
ITGB7 P26010 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 2/20 0.45
ACE P12821 2/20 0.44
MME P08473 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
ABCC2 Q92887 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL5517849 1.00 CNR1 (0.71) CNR1CNR2L3MBTL1ITGB1ITGA4
SCHEMBL5521845 0.93 CNR2 (0.64) CNR1CNR2ITGB1ITGA4ITGB7
SCHEMBL2747934 0.92 CNR2 (0.60) CNR1CNR2L3MBTL1ALDH1A1ACE
SCHEMBL5521147 0.92 CNR2 (0.60) CNR1CNR2L3MBTL1ALDH1A1ACE
SCHEMBL27680168 0.91 CNR1 (0.59) CNR1CNR2ACE
SCHEMBL5524208 0.87 CNR2 (0.53) CNR1CNR2
SCHEMBL5524978 0.86 CNR2 (0.52) CNR1CNR2
SCHEMBL5521227 0.86 CNR2 (0.52) CNR1CNR2
SCHEMBL5516024 0.85 CNR2 (0.52) CNR1CNR2
SCHEMBL11922939 0.85 CNR2 (0.52) CNR1CNR2

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
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US 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-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

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 CNR1 2/4885CNR2 1/4885L3MBTL1 4811/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR1 1/4885CNR2 2/4885L3MBTL1 3878/4885

“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.