SCHEMBL2746465

SCHEMBL2746465

CN(CCO)C(=O)C(N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TACR1 P25103 2/20 0.41
▸ UBE2N P61088 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ AOC3 Q16853 2/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ HPGD P15428 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
SCHEMBL5664149 0.87 KDM4E (0.48) KDM4EATML3MBTL1GAATACR1
SCHEMBL27734471 0.84 TACR1 (0.51) KDM4EATMTACR1AOC3MEN1
SCHEMBL14102623 0.84 KDM4E (0.46) KDM4EATMGAATACR1MEN1
SCHEMBL5004390 0.84 KDM4E (0.46) KDM4EATMGAATACR1MEN1
SCHEMBL9495599 0.83 KDM4E (0.67) KDM4EATML3MBTL1TACR1UBE2N
SCHEMBL4986798 0.83 SMN1; SMN2 (0.44) KDM4EATMGAATDP1AOC3
Hydrochloric Acid SCHEMBL4940483 0.83 KDM4E (0.44) KDM4EATMGAATACR1MEN1
Hydrochloric Acid SCHEMBL4940491 0.83 KDM4E (0.44) KDM4EATMGAATACR1MEN1
SCHEMBL5664359 0.83 KDM4E (0.44) KDM4EATMGAATACR1HPGD
SCHEMBL4204369 0.80 HPGD (0.59) TACR1TDP1MEN1KMT2AHPGD

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 KDM4E 1326/4885ATM 4613/4885L3MBTL1 4811/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 KDM4E 1522/4885ATM 4657/4885L3MBTL1 3878/4885

“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.

Send feedback