SCHEMBL2747482

SCHEMBL2747482

C[C](C(N)=O)C(=O)N1CCCC(C(=O)NCCO)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ITGB3 P05106 14/20 0.45
ITGA2B P08514 14/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
F2R P25116 5/20 0.44
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2745501 0.88 LMNA (0.50) LMNAITGB3ITGA2BALDH1A1MAPK1
SCHEMBL2744881 0.84 LMNA (0.47) LMNACYP3A4
SCHEMBL2747483 0.81 ITGB3 (0.47) LMNAITGB3ITGA2BALDH1A1MAPK1
SCHEMBL5542690 0.80 ITGB3 (0.49) LMNAITGB3ITGA2BALDH1A1F2R
SCHEMBL2746554 0.79 ALDH1A1 (0.54) LMNAALDH1A1MAPK1NPC1RAB9A
SCHEMBL2746603 0.78 ITGB3 (0.51) LMNAITGB3ITGA2BALDH1A1MAPK1
SCHEMBL13691346 0.78 ITGB3 (0.51) ITGB3ITGA2BALDH1A1F2RNPC1
SCHEMBL12966315 0.77 ALDH1A1 (0.57) ITGB3ITGA2BALDH1A1F2RNPC1
SCHEMBL12818553 0.77 ALDH1A1 (0.57) ITGB3ITGA2BALDH1A1F2RNPC1
SCHEMBL12818111 0.77 ALDH1A1 (0.57) ITGB3ITGA2BALDH1A1F2RNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 LMNA 3604/4885ITGB3 2478/4885ITGA2B 4078/4885

“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.