SCHEMBL5215591

SCHEMBL5215591

CCOCCOC[C@H]1CCC(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 14/20 0.37
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
PDK2 Q15119 3/20 0.33
IRAK1 P51617 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL9865629 1.00 IRAK4 (0.37) IRAK4GABRA1GABRG2GABRB3GABRA5
SCHEMBL15727499 0.91 IRAK4 (0.39) IRAK4GABRA1GABRG2GABRB3GABRA5
SCHEMBL21180014 0.91 IRAK4 (0.39) IRAK4GABRA1GABRG2GABRB3GABRA5
SCHEMBL4378121 0.90 IRAK4 (0.35) IRAK4ALOX5
SCHEMBL11920249 0.79 IRAK4 (0.39) IRAK4GABRA1GABRG2GABRB3GABRA5
SCHEMBL9851967 0.76 IRAK4 (0.38) IRAK4IRAK1
SCHEMBL12409742 0.76
SCHEMBL12459955 0.76
SCHEMBL9865753 0.76
Hydrochloric Acid SCHEMBL27036387 0.74 IRAK4 (0.39) IRAK4PDK2IRAK1

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
EP-3021879-A2 METHODS, SYSTEMS, AND COMPOSITIONS FOR PROMOTING BONE GROWTH Cayman Chemical Company, Incorporated (US) 2016-05-25 EP disclosed
WO-2015009991-A2 METHODS, SYSTEMS, AND COMPOSITIONS FOR PROMOTING BONE GROWTH CAYMAN CHEMICAL COMPANY, INC. (US) 2015-01-22 WO disclosed
EP-1408961-B1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS HOFFMANN LA ROCHE (CH) 2007-07-11 EP disclosed
US-6849657-B2 2-pyrrolidone derivatives as prostanoid agonists SYNTEX (U.S.A.) LLC (US) 2005-02-01 US disclosed
EP-1408961-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
US-20030064964-A1 2-pyrrolidone derivatives as prostanoid agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-03 US disclosed
WO-2003007941-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 WO 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-20030064964-A1 2-pyrrolidone derivatives as prostanoid agonists PTGER1, PTGER4, PTGIR IRAK4 748/4885GABRA1 231/4885GABRG2 561/4885

“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.