SCHEMBL5345

SCHEMBL5345

CC(C)Oc1ccc(N2CCC3(CCC(O)CC3)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 18/20 0.60
EGLN1 Q9GZT9 1/20 0.55
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL12723935 1.00 LIPE (0.60) LIPEEGLN1HRH3
SCHEMBL11682 0.87 LIPE (0.62) LIPE
SCHEMBL5787 0.87 LIPE (0.62) LIPE
SCHEMBL11902 0.87 LIPE (0.62) LIPE
SCHEMBL10819 0.85 LIPE (0.61) LIPEEGLN1
SCHEMBL10820 0.85 LIPE (0.61) LIPEEGLN1
SCHEMBL12701882 0.85 LIPE (0.61) LIPEEGLN1
SCHEMBL10058 0.85 LIPE (0.54) LIPEHRH3
SCHEMBL12701790 0.85 LIPE (0.54) LIPEHRH3
SCHEMBL10057 0.85 LIPE (0.54) LIPEHRH3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688881-B1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2016-02-10 EP disclosed
EP-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
US-8809384-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
US-8809384-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
US-8809384-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
US-8703807-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
EP-2688881-A1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-29 EP disclosed
EP-2686300-A1 NEW AZASPIRODECANONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-22 EP disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
US-20120245191-A1 NEW AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-27 US disclosed
US-20120238594-A1 AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-20 US disclosed
US-20120238594-A1 AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-20 US disclosed
US-20120238594-A1 AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-20 US disclosed
WO-2012123468-A1 NEW AZASPIRODECANONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 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 (3 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-20120238594-A1 AZASPIRODECANONE COMPOUNDS CYP51A1, HSD17B7, NR5A1 LIPE 4568/4885EGLN1 1268/4885HRH3 3438/4885
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE LIPE 3/4885EGLN1 815/4885HRH3 3404/4885
US-20120245191-A1 NEW AZASPIRODECANONE COMPOUNDS TYMS, CDK11A, CDKN1A LIPE 4854/4885EGLN1 1190/4885HRH3 2326/4885

“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.