SCHEMBL11736

SCHEMBL11736

O=C1CCC2(CC1)CCN(c1ccc([C@@H](O)C(F)(F)F)cc1)C2=O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 18/20 0.64
HDAC11 Q96DB2 1/20 0.40
EBP Q15125 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
SCHEMBL11705 1.00 LIPE (0.64) LIPEHDAC11EBP
SCHEMBL16628759 0.93 LIPE (0.60) LIPEHDAC11EBP
SCHEMBL11060 0.90 LIPE (0.53) LIPEHDAC11EBP
SCHEMBL744447 0.86 LIPE (0.60) LIPEEBP
SCHEMBL1589479 0.84 LIPE (0.60) LIPEEBP
SCHEMBL11606 0.84 LIPE (0.60) LIPEEBP
SCHEMBL12688337 0.84 LIPE (0.60) LIPEEBP
SCHEMBL11888 0.83 LIPE (0.46) LIPEHDAC11EBP
SCHEMBL11778 0.83 LIPE (0.62) LIPE
SCHEMBL11779 0.83 LIPE (0.62) LIPE

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 18 patents. 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
EP-2688881-A1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-29 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-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
WO-2012130679-A1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-04 WO disclosed
US-20120245191-A1 NEW AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-27 US disclosed
US-20120245191-A1 NEW AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-27 US disclosed
US-20120245191-A1 NEW AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-27 US 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 (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-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE LIPE 3/4885HDAC11 1166/4885EBP 126/4885
US-20120245191-A1 NEW AZASPIRODECANONE COMPOUNDS TYMS, CDK11A, CDKN1A LIPE 4854/4885HDAC11 27/4885EBP 931/4885

“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.