SCHEMBL2746917

SCHEMBL2746917

COC(=O)C(NC(=O)c1cc(OC)c(C)n(CC2CCCCC2)c1=O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.58
CNR2 P34972 13/20 0.58
P2RX3 P56373 2/20 0.40
ALDH1A1 P00352 1/20 0.40
BCL2L1 Q07817 1/20 0.40
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL5521056 1.00 CNR1 (0.58) CNR1CNR2P2RX3ALDH1A1BCL2L1
SCHEMBL5521066 0.92 CNR2 (0.68) CNR1CNR2ALDH1A1
SCHEMBL5523769 0.83 CNR2 (0.82) CNR1CNR2
SCHEMBL2745933 0.83 CNR1 (0.50) CNR1CNR2P2RX3ALDH1A1PDE10A
SCHEMBL5521478 0.83 CNR2 (0.82) CNR1CNR2
SCHEMBL2746629 0.83 CNR2 (0.55) CNR1CNR2P2RX3ALDH1A1BCL2L1
SCHEMBL2745534 0.83 CNR2 (0.82) CNR1CNR2
SCHEMBL5523638 0.83 CNR2 (0.82) CNR1CNR2
SCHEMBL11907736 0.83 CNR2 (0.82) CNR1CNR2
SCHEMBL11906188 0.83 CNR2 (0.82) 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 5 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-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 CNR1 2/4885CNR2 1/4885P2RX3 216/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR1 1/4885CNR2 2/4885P2RX3 250/4885

“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.