SCHEMBL5510562

SCHEMBL5510562

COC(=O)CC1(N)CCC(C)(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
TSHR P16473 4/20 0.36
HSD17B10 Q99714 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL370386 0.92
Hydrochloric Acid SCHEMBL15610727 0.90 TSHR (0.40) TP53TSHRHSD17B10MGAMGAA
SCHEMBL15621351 0.83 TSHR (0.39) TP53TSHRHSD17B10MGAMGAA
SCHEMBL3737098 0.83 TSHR (0.39) TP53TSHRHSD17B10MGAMGAA
SCHEMBL13262797 0.82 TSHR (0.33) TP53TSHRHSD17B10CYP3A4
SCHEMBL2311427 0.82 TSHR (0.39) TP53TSHRHSD17B10MGAMGAA
Hydrochloric Acid SCHEMBL3709400 0.80 TSHR (0.38) TP53TSHRHSD17B10MGAMGAA
SCHEMBL14865424 0.79 TSHR (0.39) TP53TSHRHSD17B10MGAMGAA
SCHEMBL3644810 0.78 GLA (0.38) TP53TSHRHSD17B10MGAMGAA
SCHEMBL21564366 0.78 KDM4E (0.40) TP53TSHRHSD17B10MGAMGAA

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 2 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

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 TP53 4133/4885TSHR 1109/4885HSD17B10 1887/4885

“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.