SCHEMBL5683

SCHEMBL5683

CC(C)c1ccc(N2CCC3(CCC(O)CC3)C2=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
LIPE Q05469 12/20 0.43
KCNJ1 P48048 3/20 0.42
EGLN1 Q9GZT9 2/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39

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
SCHEMBL10722 0.85 LIPE (0.45) LIPEKCNJ1EGLN1ITGB3ITGA2B
SCHEMBL5926 0.84 LIPE (0.47) LIPEKCNJ1EGLN1ITGB3ITGA2B
SCHEMBL1589197 0.84 LIPE (0.47) LIPEKCNJ1EGLN1ITGB3ITGA2B
SCHEMBL5927 0.84 LIPE (0.47) LIPEKCNJ1EGLN1ITGB3ITGA2B
SCHEMBL12273915 0.82 LIPE (0.62) HRH3LIPEEGLN1
SCHEMBL12447328 0.82 LIPE (0.62) HRH3LIPEEGLN1
SCHEMBL5672 0.81 HRH3 (0.52) HRH3LIPEITGB3ITGA2B
SCHEMBL10832 0.81 HRH3 (0.52) HRH3LIPEITGB3ITGA2B
SCHEMBL12701963 0.81 HRH3 (0.52) HRH3LIPEITGB3ITGA2B
SCHEMBL10858 0.81 LIPE (0.57) LIPEKCNJ1EGLN1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO 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-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE HRH3 3404/4885LIPE 3/4885KCNJ1 2832/4885

“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.