SCHEMBL2746619

SCHEMBL2746619

CCCNC(=O)C1CCN(C(=O)C(C)(C)N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
GNAI3 P08754 2/20 0.45
GNAO1 P09471 2/20 0.45
GNAI1 P63096 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
NAAA Q02083 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2744883 0.88 LMNA (0.48) HSD17B10GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL11922854 0.88 HSD17B10 (0.49) HSD17B10KDM4EHPGDMAPTTP53
SCHEMBL2746605 0.83 LMNA (0.56) HPGDALDH1A1LMNANAAACYP3A4
SCHEMBL5520120 0.83 HSD17B10 (0.49) HSD17B10KDM4EHPGDMAPTTP53
SCHEMBL2746438 0.80 SMN1; SMN2 (0.44) HSD17B10HPGDALDH1A1GAALMNA
SCHEMBL2746501 0.80 LMNA (0.40) HSD17B10HPGDGAALMNA
SCHEMBL25934441 0.79 GNAI3 (0.50) HSD17B10KDM4EHPGDMAPTTP53
SCHEMBL13006883 0.78 KDM4E (0.51) HSD17B10KDM4EHPGDMAPTGNAI3
SCHEMBL15337881 0.77 HSD17B10 (0.50) HSD17B10KDM4EHPGDMAPTTP53
SCHEMBL25932802 0.77 HSD17B10 (0.47) HSD17B10KDM4EHPGDMAPTTP53

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 2220/4885KDM4E 1326/4885HPGD 1235/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 HSD17B10 1887/4885KDM4E 1522/4885HPGD 1169/4885

“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.