SCHEMBL5516804

SCHEMBL5516804

COC(=O)c1c(O)c2c(n(CC3CCCCC3)c1=O)CCCCCC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ CNR1 P21554 11/20 0.47
▸ CNR2 P34972 11/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALOX12 P18054 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL2747768 0.88 TSHR (0.46) TSHRCNR1CNR2ALDH1A1HSD17B10
SCHEMBL5515532 0.86 TSHR (0.67) TSHRCNR1CNR2ALDH1A1HSD17B10
SCHEMBL11922690 0.84 TSHR (0.52) TSHRCNR1CNR2ALDH1A1HSD17B10
SCHEMBL2746371 0.81 CNR1 (0.52) TSHRCNR1CNR2ALDH1A1HSD17B10
SCHEMBL2746156 0.81 CNR2 (0.51) TSHRCNR1CNR2ALDH1A1HSD17B10
SCHEMBL2746322 0.80 TSHR (0.61) TSHRCNR1CNR2ALDH1A1HSD17B10
SCHEMBL2746338 0.77 CNR2 (0.63) TSHRCNR1CNR2ALDH1A1HPGD
SCHEMBL2745712 0.77 TSHR (0.45) TSHRCNR1CNR2ALDH1A1HSD17B10
SCHEMBL17629599 0.74 EGLN1 (0.70) TSHRALDH1A1HSD17B10HPGDMAPT
SCHEMBL31514466 0.72 USP2 (0.48) TSHRALDH1A1HSD17B10HPGDMAPT

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 9 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
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 TSHR 1412/4885CNR1 2/4885CNR2 1/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 TSHR 1109/4885CNR1 1/4885CNR2 2/4885

“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.

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