SCHEMBL746679

SCHEMBL746679

CCc1ccc(N2CCC3(CCN(S(=O)(=O)N4CCOCC4)CC3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.48
EBP Q15125 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 5/20 0.42
LIPE Q05469 2/20 0.41
GAA P10253 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
KDM4E B2RXH2 1/20 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
SCHEMBL3746763 0.84 EGLN1 (0.42) EGLN1EBPALDH1A1MAPTHTT
SCHEMBL745391 0.81 LIPE (0.64) EBPLIPE
SCHEMBL745246 0.81 LIPE (0.52) EGLN1ALDH1A1MAPTHRH3LIPE
SCHEMBL3745559 0.79 LIPE (0.59) EGLN1EBPLIPEITGB3ITGA2B
SCHEMBL745186 0.79 LIPE (0.50) EGLN1LIPEITGB3ITGA2B
SCHEMBL12176 0.78 EGLN1 (0.57) EGLN1LIPEITGB3ITGA2B
SCHEMBL743380 0.77 LIPE (0.54) EGLN1LIPE
SCHEMBL745622 0.77 LIPE (0.69) EGLN1HTTLIPEGAA
SCHEMBL1590437 0.76 EGLN1 (0.56) EGLN1EBPHRH3LIPEITGB3
SCHEMBL3743932 0.76 LIPE (0.48) EGLN1EBPLIPE

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 EGLN1 2307/4885EBP 12/4885ALDH1A1 691/4885

“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.