SCHEMBL329010

SCHEMBL329010

CC(C)(C)[Si](C)(C)OC1CCCC(=O)CCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
PPM1D O15297 2/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL6396660 0.95 TRIM24 (0.36) TRIM24TRIM33PPM1DPDE4APDE4B
SCHEMBL3696243 0.89 THRB (0.35) PPM1DPDE4APDE4BPDE4CPDE4D
SCHEMBL74024 0.89 PPM1D (0.31) PPM1D
SCHEMBL29789152 0.82 PPM1D (0.38) PPM1D
SCHEMBL7335164 0.82 PPM1D (0.35) PPM1D
Formaldehyde SCHEMBL19466565 0.80 PPM1D (0.35) PPM1D
SCHEMBL6552564 0.80 PPM1D (0.34) PPM1D
SCHEMBL7372527 0.80 PPM1D (0.30) PPM1D
SCHEMBL6406215 0.78
SCHEMBL8067894 0.78 BUB1 (0.31) PDE4APDE4BPDE4CPDE4D

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-8710077-B2 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-04-29 US disclosed
EP-2007719-B1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-05-02 EP disclosed
EP-2407452-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme Abbott Laboratories (US) 2012-01-18 EP disclosed
EP-2102164-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI AVENTIS (FR) 2010-12-01 EP disclosed
US-7737137-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2010-06-15 US disclosed
US-20080312214-A1 Inhibitors of the 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-12-18 US disclosed
US-7435833-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2008-10-14 US disclosed
WO-2008077556-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
WO-2008077551-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
US-20080076819-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-03-27 US disclosed
WO-2007118185-A2 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-10-18 WO disclosed
US-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US disclosed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP 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 (3 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-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof CCR1, CCL2, CCR5 TRIM24 1850/4885TRIM33 4351/4885PPM1D 2550/4885
US-20080076819-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 TRIM24 2998/4885TRIM33 4669/4885PPM1D 532/4885
US-20080312214-A1 Inhibitors of the 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Enzyme HSD11B1, HSD17B1, HSD11B2 TRIM24 2307/4885TRIM33 4417/4885PPM1D 656/4885

“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.