SCHEMBL5644

SCHEMBL5644

CC(C)(C)c1ccc(N2CCC3(CCC(C=O)CC3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.46
TRPV1 Q8NER1 1/20 0.42
HRH3 Q9Y5N1 8/20 0.40
LIPE Q05469 10/20 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
SCHEMBL9978 0.81 TRPV1 (0.46) EBPTRPV1HRH3LIPE
SCHEMBL1589334 0.80 LIPE (0.46) EBPTRPV1LIPE
SCHEMBL12702535 0.80 LIPE (0.46) EBPTRPV1LIPE
SCHEMBL6232 0.80 EBP (0.49) EBPTRPV1HRH3LIPE
SCHEMBL10061 0.80 LIPE (0.46) EBPTRPV1LIPE
SCHEMBL12702532 0.80 LIPE (0.46) EBPTRPV1LIPE
SCHEMBL10062 0.80 LIPE (0.46) EBPTRPV1LIPE
SCHEMBL1589354 0.78 LIPE (0.44) EBPTRPV1LIPE
SCHEMBL12702596 0.78 LIPE (0.44) EBPTRPV1LIPE
SCHEMBL1589620 0.78 EBP (0.47) EBPTRPV1LIPE

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
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
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 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-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE EBP 126/4885TRPV1 882/4885HRH3 3404/4885

“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.