SCHEMBL2746847

SCHEMBL2746847

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.52
ITGA2B P08514 13/20 0.52
F2R P25116 5/20 0.46
LMNA P02545 1/20 0.45
NAAA Q02083 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2746603 0.92 ITGB3 (0.51) ITGB3ITGA2BF2RLMNAALDH1A1
SCHEMBL2745501 0.79 LMNA (0.50) ITGB3ITGA2BLMNANAAAALDH1A1
SCHEMBL22170870 0.77 ITGB3 (0.63) ITGB3ITGA2BNAAA
SCHEMBL2747482 0.76 LMNA (0.46) ITGB3ITGA2BF2RLMNAALDH1A1
SCHEMBL2746616 0.76 HSD17B10 (0.45) ITGB3ITGA2BF2RLMNAALDH1A1
SCHEMBL18910506 0.73 EPHX2 (0.48) ITGB3ITGA2BF2RLMNATSHR
SCHEMBL12604886 0.73 NAAA (0.62) NAAANPC1RAB9A
SCHEMBL14679349 0.72 ITGB3 (0.48) ITGB3ITGA2BF2RALDH1A1NPC1
SCHEMBL18239228 0.72 NAAA (0.47) ITGB3ITGA2BF2RLMNANAAA
SCHEMBL4603337 0.72 ITGB3 (0.66) ITGB3ITGA2BF2R

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 ITGB3 2910/4885ITGA2B 3845/4885F2R 243/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ITGB3 2478/4885ITGA2B 4078/4885F2R 249/4885

“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.