SCHEMBL2746797

SCHEMBL2746797

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.47
TAS1R1 Q7RTX1 6/20 0.47
CNR1 P21554 8/20 0.46
CNR2 P34972 8/20 0.46
BCL2L1 Q07817 3/20 0.43
P2RX3 P56373 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5516011 0.90 CNR1 (0.52) CNR1CNR2BCL2L1
SCHEMBL14472350 0.88 CNR2 (0.44) CNR1CNR2P2RX3
SCHEMBL5524996 0.88 CNR2 (0.44) CNR1CNR2P2RX3
SCHEMBL2746246 0.88 CNR2 (0.44) CNR1CNR2P2RX3
SCHEMBL2746618 0.88 CNR1 (0.49) CNR1CNR2P2RX3
SCHEMBL2745331 0.86 KMT2A (0.51) TAS1R3TAS1R1CNR1CNR2SMN1; SMN2
SCHEMBL5519479 0.86 KMT2A (0.51) TAS1R3TAS1R1CNR1CNR2SMN1; SMN2
SCHEMBL5519444 0.86 KMT2A (0.51) TAS1R3TAS1R1CNR1CNR2SMN1; SMN2
SCHEMBL5521147 0.85 CNR2 (0.60) CNR1CNR2
SCHEMBL2747934 0.85 CNR2 (0.60) 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
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 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 TAS1R3 609/4885TAS1R1 637/4885CNR1 2/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 TAS1R3 422/4885TAS1R1 540/4885CNR1 1/4885

“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.