SCHEMBL336840

SCHEMBL336840

O=C1CC2(CCN1)CCN(c1ccc(CC(F)(F)F)cc1)C2=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 15/20 0.44
EBP Q15125 1/20 0.38
EGLN1 Q9GZT9 2/20 0.37
HDAC11 Q96DB2 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL1946683 0.85 LIPE (0.47) LIPEEBPEGLN1RORC
SCHEMBL335965 0.83 LIPE (0.58) LIPEEGLN1
SCHEMBL336236 0.81 LIPE (0.55) LIPE
SCHEMBL11861 0.79 LIPE (0.47) LIPEEBPEGLN1HDAC11
SCHEMBL1589289 0.77 LIPE (0.53) LIPEEBP
SCHEMBL1589633 0.77 LIPE (0.46) LIPEEBPEGLN1HDAC11
SCHEMBL1589303 0.77 LIPE (0.53) LIPEEBP
SCHEMBL11373 0.77 LIPE (0.53) LIPEEBP
SCHEMBL5262 0.77 LIPE (0.53) LIPEEBP
SCHEMBL5261 0.77 LIPE (0.53) LIPEEBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558464-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
EP-2558464-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
US-8097634-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
US-8097634-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
US-8097634-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
WO-2011128316-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110257212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 US disclosed
US-20110257212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 US disclosed
US-20110257212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 US 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-20110257212-A1 NEW AZACYCLIC DERIVATIVES LIPE, GPR119, LPL LIPE 1/4885EBP 40/4885EGLN1 834/4885

“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.