SCHEMBL336236

SCHEMBL336236

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

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 19/20 0.55
METAP2 P50579 1/20 0.41

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
SCHEMBL335965 0.85 LIPE (0.58) LIPE
SCHEMBL610259 0.85 LIPE (0.63) LIPEMETAP2
SCHEMBL336840 0.81 LIPE (0.44) LIPE
SCHEMBL336478 0.80 LIPE (0.60) LIPE
Acetic Acid SCHEMBL744438 0.79 LIPE (0.62) LIPEMETAP2
SCHEMBL10163 0.79 LIPE (0.64) LIPEMETAP2
SCHEMBL746001 0.78 LIPE (0.74) LIPEMETAP2
SCHEMBL337098 0.77 LIPE (0.62) LIPE
SCHEMBL12724116 0.77 LIPE (0.65) LIPE
SCHEMBL1588969 0.77 LIPE (0.69) 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 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 1/4885METAP2 3373/4885

“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.