SCHEMBL2746099

SCHEMBL2746099

CC(C)(N)C(=O)NCCC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.33
POLB P06746 2/20 0.32
GHSR Q92847 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL5544335 0.84 POLB (0.42) ECE1POLBALDH1A1SMN1; SMN2MAOA
SCHEMBL2745500 0.77 MAOA (0.37) MAOAMAOB
SCHEMBL13887188 0.77 KDM4C (0.45) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2745969 0.77 ALDH1A1 (0.39) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6692722 0.77 ALDH1A1 (0.36) POLBALDH1A1SMN1; SMN2MAOBMEN1
SCHEMBL19169704 0.76 CNR1 (0.34) ECE1
SCHEMBL19176795 0.76 DRD2 (0.40) ALDH1A1MEN1KMT2AEPHX1
SCHEMBL2746170 0.76 KDM4E (0.46) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7771469 0.76 ALDH1A1 (0.60) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7770037 0.76 LMNA (0.40) ECE1POLBALDH1A1SMN1; SMN2MEN1

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 ECE1 954/4885POLB 3673/4885GHSR 300/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ECE1 1280/4885POLB 3960/4885GHSR 199/4885

“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.