SCHEMBL5509879

SCHEMBL5509879

CC(C)C1(C(=O)O)CCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
FFAR3 O14843 1/20 0.36
MME P08473 1/20 0.32
AKR1C1 Q04828 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL11301399 1.00 CYP2C19 (0.38) CYP2C19FFAR3MMEAKR1C1USP2
SCHEMBL5513287 1.00 CYP2C19 (0.38) CYP2C19FFAR3MMEAKR1C1USP2
SCHEMBL2862907 1.00 CYP2C19 (0.38) CYP2C19FFAR3MMEAKR1C1USP2
SCHEMBL28284575 0.98 CYP2C19 (0.37) CYP2C19FFAR3MMEAKR1C1USP2
SCHEMBL3809509 0.97 FFAR3 (0.38) CYP2C19FFAR3MMEAKR1C1ALDH1A1
SCHEMBL4581131 0.92 FFAR3 (0.38) CYP2C19FFAR3ALDH1A1TSHR
SCHEMBL3140773 0.87
SCHEMBL14037335 0.83 FFAR3 (0.40) CYP2C19FFAR3MMEAKR1C1USP2
SCHEMBL29000323 0.81 CYP2C19 (0.35) CYP2C19FFAR3MME
SCHEMBL10532998 0.81 CYP2C19 (0.35) CYP2C19FFAR3MMEUSP2ALDH1A1

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 4 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-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 (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 CYP2C19 1098/4885FFAR3 10/4885MME 3367/4885

“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.