SCHEMBL11643

SCHEMBL11643

O=C1N(c2ccc(C(O)C(F)(F)F)cc2)CCC12CCC1(CC2)OCCO1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 17/20 0.59
EBP Q15125 1/20 0.42
EGLN1 Q9GZT9 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL11687 1.00 LIPE (0.59) LIPEEBPEGLN1HRH3
SCHEMBL11838 0.91 LIPE (0.50) LIPEEBP
SCHEMBL1589479 0.87 LIPE (0.60) LIPEEBPEGLN1HRH3
SCHEMBL12688337 0.87 LIPE (0.60) LIPEEBPEGLN1HRH3
SCHEMBL11606 0.87 LIPE (0.60) LIPEEBPEGLN1HRH3
SCHEMBL11509 0.85 LIPE (0.43) LIPEEBPHRH3
SCHEMBL12274027 0.83 LIPE (0.58) LIPEEBP
SCHEMBL11736 0.83 LIPE (0.64) LIPEEBP
SCHEMBL11705 0.83 LIPE (0.64) LIPEEBP
SCHEMBL744447 0.82 LIPE (0.60) LIPEEBPEGLN1HRH3

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-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-8722721-B2 SEC-hydroxycyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-13 US disclosed
EP-2686299-A1 SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-22 EP disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
US-20120238613-A1 SEC-HYDROXYCYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 US disclosed
WO-2012123432-A1 SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO 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 (2 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-20120238613-A1 SEC-HYDROXYCYCLOHEXYL DERIVATIVES SEC61B, SEC61A1, SEC22B LIPE 3726/4885EBP 179/4885EGLN1 746/4885
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE LIPE 3/4885EBP 126/4885EGLN1 815/4885

“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.