SCHEMBL5753

SCHEMBL5753

COCCc1ccc(N2CCC3(CCC(O)CC3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
LIPE Q05469 17/20 0.47
S1PR1 P21453 1/20 0.42
EGLN1 Q9GZT9 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
SCHEMBL12701763 0.86 HRH3 (0.50) HRH3LIPES1PR1EGLN1
SCHEMBL5321 0.86 HRH3 (0.50) HRH3LIPES1PR1EGLN1
SCHEMBL9908 0.86 HRH3 (0.50) HRH3LIPES1PR1EGLN1
SCHEMBL10460 0.85 LIPE (0.42) LIPES1PR1EGLN1
SCHEMBL5196 0.84 LIPE (0.50) HRH3LIPEEGLN1
SCHEMBL1589518 0.84 LIPE (0.53) LIPE
SCHEMBL1589515 0.84 LIPE (0.53) LIPE
SCHEMBL5620 0.83 LIPE (0.49) HRH3LIPEEGLN1
SCHEMBL9870 0.83 EGLN1 (0.54) HRH3LIPEEGLN1
SCHEMBL1589368 0.83 EGLN1 (0.54) HRH3LIPEEGLN1

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 3/4885S1PR1 695/4885

“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.