SCHEMBL3752478

SCHEMBL3752478

CCCc1ccc(N2CCC3(CCN(C(=O)CC(C)(C)C)CC3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.47
ITGA2B P08514 14/20 0.47
LIPE Q05469 2/20 0.43
EGLN1 Q9GZT9 2/20 0.42
S1PR1 P21453 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
SCHEMBL745632 0.91 EGLN1 (0.51) ITGB3ITGA2BLIPEEGLN1
SCHEMBL746018 0.85 LIPE (0.53) ITGB3ITGA2BLIPEEGLN1
SCHEMBL3744078 0.82 ITGB3 (0.48) ITGB3ITGA2BLIPE
SCHEMBL746790 0.82 HRH3 (0.52) ITGB3ITGA2BEGLN1
SCHEMBL744337 0.80 LIPE (0.62) ITGB3ITGA2BLIPE
SCHEMBL3748442 0.79 LIPE (0.48) ITGB3ITGA2BLIPE
SCHEMBL750248 0.79 ITGB3 (0.46) ITGB3ITGA2BLIPE
SCHEMBL747565 0.79 LIPE (0.56) ITGB3ITGA2BLIPE
SCHEMBL746935 0.78 LIPE (0.59) ITGB3ITGA2BLIPEEGLN1
SCHEMBL5321 0.78 HRH3 (0.50) LIPEEGLN1S1PR1

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-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP 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
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 ITGB3 4170/4885ITGA2B 2710/4885LIPE 10/4885

“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.