SCHEMBL3215656

SCHEMBL3215656

CC(C)(C)OC(=O)NC1(CCCO)CCC(O[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
PPM1D O15297 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL3203707 0.89 DGAT1 (0.31)
SCHEMBL3225010 0.81 PPM1D (0.30) PPM1D
SCHEMBL4760970 0.81 TDP1 (0.47) TDP1CYP4F2CYP4A11
SCHEMBL21504213 0.78 TDP1 (0.45) TDP1CYP4F2CYP4A11
SCHEMBL22380561 0.78 MEN1 (0.35) TDP1PPM1D
SCHEMBL24845266 0.77 TDP1 (0.50) TDP1CYP4F2CYP4A11
SCHEMBL25568161 0.73 TDP1 (0.36) TDP1
SCHEMBL25568162 0.73 TDP1 (0.36) TDP1
SCHEMBL25568152 0.73 TDP1 (0.36) TDP1
SCHEMBL15285348 0.72 CTSL (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710077-B2 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-04-29 US disclosed
US-8710077-B2 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-04-29 US disclosed
US-8710077-B2 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-04-29 US disclosed
EP-2102164-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI AVENTIS (FR) 2010-12-01 EP disclosed
US-20100056553-A1 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
US-20100056553-A1 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
EP-2102164-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-09-23 EP disclosed
WO-2008077556-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 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-20100056553-A1 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 TDP1 1161/4885PPM1D 240/4885CYP4F2 3348/4885

“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.