SCHEMBL2746629

SCHEMBL2746629

CCc1c(C)cc(C(=O)NC(C(=O)OC)C(C)C)c(=O)n1CC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.55
CNR1 P21554 11/20 0.55
P2RX3 P56373 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PLA2G1B P04054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
BCL2L1 Q07817 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
SCHEMBL2747686 0.90 CNR2 (0.51) CNR2CNR1P2RX3ALDH1A1PLA2G1B
SCHEMBL5512992 0.90 CNR2 (0.52) CNR2CNR1
SCHEMBL2745444 0.88 CNR2 (0.54) CNR2CNR1TSHRALDH1A1BCL2L1
SCHEMBL2746735 0.88 CNR2 (0.47) CNR2CNR1
SCHEMBL5522820 0.88 CNR2 (0.54) CNR2CNR1TSHRALDH1A1BCL2L1
SCHEMBL5521056 0.83 CNR1 (0.58) CNR2CNR1P2RX3ALDH1A1BCL2L1
SCHEMBL2746917 0.83 CNR1 (0.58) CNR2CNR1P2RX3ALDH1A1BCL2L1
SCHEMBL27680171 0.83 CNR2 (0.59) CNR2CNR1TSHRALDH1A1PLA2G1B
SCHEMBL2745933 0.83 CNR1 (0.50) CNR2CNR1P2RX3TAS1R3TAS1R1
SCHEMBL11920672 0.83 CNR2 (0.51) CNR2CNR1ALDH1A1PLA2G1BNPSR1

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 8 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
CN-1993327-B 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO 2013-02-06 CN 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
CN-1993327-A 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO (JP) 2007-07-04 CN 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 CNR2 1/4885CNR1 2/4885P2RX3 216/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR2 2/4885CNR1 1/4885P2RX3 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.