SCHEMBL2747239

SCHEMBL2747239

O=C(O)COCC1([N+](=O)[O-])CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ CACNA2D1 P54289 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL5516746 0.80 KDM4E (0.34) ALDH1A1LMNACYP1A2TSHRSMN1; SMN2
SCHEMBL2746750 0.74 ALDH1A1 (0.41) ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL18403521 0.74 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL9301442 0.73 LMNA (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL11920716 0.72 ALDH1A1 (0.44) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5509081 0.71 TSHR (0.42) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7164850 0.71 LMNA (0.40) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL15797987 0.70 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2746407 0.69 TSHR (0.41) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL15798332 0.69 TSHR (0.36) ALDH1A1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 — — EP 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-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 (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 USP2 3616/4885ALDH1A1 3505/4885LMNA 4280/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 USP2 3777/4885ALDH1A1 4132/4885LMNA 3604/4885

“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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