SCHEMBL5510045

SCHEMBL5510045

CC(C)C1(CC(=O)O)CCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
CACNA2D1 P54289 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NFKB1 P19838 1/20 0.31
MAPT P10636 1/20 0.31
HSD11B1 P28845 1/20 0.31
MME P08473 1/20 0.31
GRM1 Q13255 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL5510502 0.95 CYP2C19 (0.45) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL5511328 0.93 CYP2C19 (0.48) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL15166576 0.91 CYP2C19 (0.38) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL5509981 0.83 CYP2C19 (0.33) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL5508577 0.81 ALDH1A1 (0.35) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL16788144 0.77 ALDH1A1 (0.33) CYP2C19ALDH1A1MME
SCHEMBL5608513 0.77 CYP1A2 (0.47) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL16788142 0.76 CYP2C19 (0.34) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL7559704 0.74 CYP2C19 (0.33) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL1201665 0.74 CYP2C19 (0.38) CYP2C19CYP1A2TSHRUSP2ALDH1A1

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 7 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-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-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-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 (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 CYP2C19 896/4885CYP1A2 1314/4885TSHR 1412/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CYP2C19 1098/4885CYP1A2 1310/4885TSHR 1109/4885

“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.