SCHEMBL2745846

SCHEMBL2745846

CCCCn1c2c(c(O)c(C(=O)Nc3ccc(OC(C)=O)cc3)c1=O)CCCCCC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.72
▸ MAPT P10636 5/20 0.72
▸ HSD17B10 Q99714 3/20 0.72
▸ HPGD P15428 3/20 0.72
▸ LMNA P02545 4/20 0.70
▸ TSHR P16473 2/20 0.53
▸ KDM4E B2RXH2 5/20 0.52
▸ HTT P42858 3/20 0.52
▸ USP2 O75604 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL2745842 0.84 ALDH1A1 (0.54) ALDH1A1MAPTHSD17B10HPGDLMNA
SCHEMBL11906939 0.83 ALDH1A1 (0.49) ALDH1A1MAPTHSD17B10HPGDLMNA
SCHEMBL11906938 0.82 MAPT (0.56) ALDH1A1MAPTHSD17B10HPGDLMNA
SCHEMBL11906935 0.81 MAPT (0.53) ALDH1A1MAPTHSD17B10HPGDLMNA
SCHEMBL2745557 0.80 CNR2 (0.66) ALDH1A1MAPTHSD17B10HPGDLMNA
SCHEMBL2745604 0.80 CNR2 (0.66) ALDH1A1MAPTHSD17B10HPGDLMNA
SCHEMBL2745682 0.79 CNR2 (0.64) ALDH1A1MAPTHSD17B10HPGDLMNA
SCHEMBL11922678 0.79 TSHR (0.68) ALDH1A1MAPTHSD17B10HPGDLMNA
SCHEMBL5519628 0.79 TSHR (0.84) ALDH1A1MAPTHSD17B10HPGDLMNA
SCHEMBL2746322 0.77 TSHR (0.61) ALDH1A1MAPTHSD17B10HPGDLMNA

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 3 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
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 (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 ALDH1A1 4132/4885MAPT 4270/4885HSD17B10 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.

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