SCHEMBL2745933

SCHEMBL2745933

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.50
CNR2 P34972 10/20 0.50
HTT P42858 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
PDE10A Q9Y233 2/20 0.40
P2RX3 P56373 2/20 0.40
VDR P11473 2/20 0.40
ALDH1A1 P00352 2/20 0.37
PLA2G1B P04054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL5521852 0.90 CNR2 (0.59) CNR1CNR2VDR
SCHEMBL2746618 0.87 CNR1 (0.49) CNR1CNR2P2RX3
SCHEMBL2747866 0.84 CNR2 (0.72) CNR1CNR2
SCHEMBL5515402 0.84 CNR2 (0.72) CNR1CNR2
SCHEMBL2746797 0.83 TAS1R3 (0.47) CNR1CNR2TAS1R3TAS1R1P2RX3
SCHEMBL5521056 0.83 CNR1 (0.58) CNR1CNR2PDE10AP2RX3ALDH1A1
SCHEMBL2746917 0.83 CNR1 (0.58) CNR1CNR2PDE10AP2RX3ALDH1A1
SCHEMBL27680150 0.83 CNR2 (0.57) CNR1CNR2
SCHEMBL2746629 0.83 CNR2 (0.55) CNR1CNR2TAS1R3TAS1R1P2RX3
SCHEMBL5524996 0.82 CNR2 (0.44) CNR1CNR2P2RX3ALDH1A1PLA2G1B

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 CNR1 2/4885CNR2 1/4885HTT 4417/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR1 1/4885CNR2 2/4885HTT 4351/4885

“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.