SCHEMBL2746616

SCHEMBL2746616

C[C](C)C(=O)N1CCC(C(=O)NCCC(N)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
F2R P25116 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 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
SCHEMBL2746603 0.83 ITGB3 (0.51) ITGB3ITGA2BF2RALDH1A1CYP3A4
SCHEMBL13368232 0.81 ITGB3 (0.46) HSD17B10GNAI3GNAO1GNAI1GAA
SCHEMBL7134815 0.79 KMT2A (0.45) HSD17B10GNAI3GNAO1GNAI1ITGB3
SCHEMBL2746437 0.76 ALDH1A1 (0.40) HSD17B10MAPTGAAALDH1A1TSHR
SCHEMBL2746847 0.76 ITGB3 (0.52) ITGB3ITGA2BF2RALDH1A1CYP3A4
SCHEMBL16333572 0.76 NAAA (0.47) HSD17B10ITGB3ITGA2BALDH1A1
SCHEMBL2744881 0.75 LMNA (0.47) HSD17B10GNAI3GNAO1GNAI1MAPT
SCHEMBL3195374 0.74 ITGB3 (0.52) HSD17B10ITGB3ITGA2BF2RLMNA
SCHEMBL18239218 0.72 GNAI3 (0.49) HSD17B10GNAI3GNAO1GNAI1GAA
SCHEMBL18239264 0.72 GNAI3 (0.49) HSD17B10GNAI3GNAO1GNAI1GAA

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 HSD17B10 2220/4885GNAI3 958/4885GNAO1 1093/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 HSD17B10 1887/4885GNAI3 1665/4885GNAO1 1490/4885

“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.