SCHEMBL2746126

SCHEMBL2746126

CCCCn1c2c(c(O)c(C(=O)NC(CC(=O)OC)c3ccccc3)c1=O)CCCCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ MAPT P10636 5/20 0.51
▸ HPGD P15428 4/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ TSHR P16473 1/20 0.50
▸ LMNA P02545 4/20 0.48
▸ USP2 O75604 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RECQL P46063 1/20 0.46

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
SCHEMBL2746999 0.81 CNR2 (0.68) CNR1CNR2
SCHEMBL5519568 0.76 TSHR (0.57) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL2745517 0.76 TSHR (0.57) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL2746322 0.76 TSHR (0.61) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL11922678 0.76 TSHR (0.68) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL5519628 0.76 TSHR (0.84) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL5522047 0.76 TSHR (0.59) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL2746315 0.75 TSHR (0.55) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL2745842 0.74 ALDH1A1 (0.54) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL5518631 0.72 CNR2 (0.68) 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 ALDH1A1 3505/4885KDM4E 1326/4885CYP1A2 1314/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ALDH1A1 4132/4885KDM4E 1522/4885CYP1A2 1310/4885

“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.

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