SCHEMBL2744883

SCHEMBL2744883

CC(C)(N)C(=O)N1CCC(C(=O)NCCO)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.45
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.37
LTA4H P09960 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL2746619 0.88 HSD17B10 (0.47) LMNAHSD17B10GNAI3GNAO1GNAI1
SCHEMBL11922965 0.88 LMNA (0.50) LMNAHSD17B10GNAI3GNAO1GNAI1
SCHEMBL2747483 0.83 ITGB3 (0.47) LMNACYP3A4ALDH1A1CYP2D6
SCHEMBL5517841 0.83 HSD17B10 (0.49) LMNAHSD17B10SMN1; SMN2TSHRGAA
SCHEMBL2746501 0.80 LMNA (0.40) LMNAHSD17B10SMN1; SMN2GAA
SCHEMBL2746438 0.80 SMN1; SMN2 (0.44) LMNAHSD17B10SMN1; SMN2GAAALDH1A1
SCHEMBL23466442 0.79 HPGD (0.55) LMNA
SCHEMBL2744881 0.78 LMNA (0.47) LMNAHSD17B10GNAI3GNAO1GNAI1
SCHEMBL13627843 0.77 LMNA (0.51) LMNAHSD17B10SMN1; SMN2TSHRGAA
SCHEMBL14683847 0.76 HPGD (0.51) LMNAHSD17B10ALDH1A1

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 3604/4885HSD17B10 1887/4885GNAI3 1665/4885

“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.