SCHEMBL745802

SCHEMBL745802

CCCCN(C)C(=O)N1CCC2(CC1)CCN(c1ccc(C3CC3)cc1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.46
EGLN1 Q9GZT9 1/20 0.42
ITGB3 P05106 9/20 0.42
ITGA2B P08514 9/20 0.42

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
SCHEMBL745773 0.85 HRH3 (0.47) HRH3EGLN1ITGB3ITGA2B
SCHEMBL746624 0.81 LIPE (0.62) ITGB3ITGA2B
SCHEMBL748085 0.80 EGLN1 (0.47) HRH3EGLN1ITGB3ITGA2B
SCHEMBL747940 0.79 LIPE (0.61) ITGB3ITGA2B
SCHEMBL1943854 0.76 HRH3 (0.46) HRH3EGLN1ITGB3ITGA2B
SCHEMBL746790 0.75 HRH3 (0.52) HRH3EGLN1ITGB3ITGA2B
SCHEMBL1943522 0.75 HRH3 (0.44) HRH3EGLN1ITGB3ITGA2B
SCHEMBL12701947 0.75 LIPE (0.64) HRH3EGLN1
SCHEMBL10267 0.75 LIPE (0.64) HRH3EGLN1
SCHEMBL10266 0.75 LIPE (0.64) HRH3EGLN1

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 11 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
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP claimed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO claimed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
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

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 HRH3 3708/4885EGLN1 2307/4885ITGB3 4170/4885

“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.