SCHEMBL745186

SCHEMBL745186

CCc1ccc(N2CCC3(CCN(S(=O)(=O)CC(C)C)CC3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 12/20 0.50
EGLN1 Q9GZT9 2/20 0.48
RORC P51449 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38

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
SCHEMBL3752081 0.87 LIPE (0.58) LIPERORC
SCHEMBL746626 0.86 LIPE (0.46) LIPEEGLN1RORCITGB3ITGA2B
SCHEMBL3745559 0.86 LIPE (0.59) LIPEEGLN1RORCL3MBTL1ITGB3
SCHEMBL745328 0.84 LIPE (0.55) LIPEEGLN1
SCHEMBL3737973 0.84 HRH3 (0.50) LIPEEGLN1RORC
SCHEMBL744479 0.83 LIPE (0.71) LIPE
SCHEMBL3749702 0.83 LIPE (0.51) LIPEEGLN1L3MBTL1ITGB3ITGA2B
SCHEMBL3745718 0.83 LIPE (0.51) LIPEEGLN1
SCHEMBL3739136 0.83 LIPE (0.52) LIPEEGLN1RORC
SCHEMBL3748437 0.81 LIPE (0.48) LIPERORCITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP claimed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US claimed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL LIPE 10/4885EGLN1 2307/4885RORC 1454/4885

“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.