SCHEMBL1727795

SCHEMBL1727795

CC(=O)OC1(CNC(=O)OCCOC(=O)C(C)C)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
P2RX7 Q99572 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
SCHEMBL6024135 0.89
SCHEMBL614058 0.82
SCHEMBL3400869 0.82
SCHEMBL6880645 0.81
SCHEMBL4757164 0.80 HCRTR2 (0.30)
SCHEMBL5046422 0.80 P2RX7 (0.30) P2RX7
SCHEMBL3402103 0.80
SCHEMBL3819375 0.79
SCHEMBL3813044 0.79 P2RX7 (0.31) P2RX7
SCHEMBL3808910 0.79 CTSK (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010017498-A1 METHODS OF SYNTHESIZING N-HYDROXYSUCCINIMIDYL CARBONATES XENOPORT, INC. (US) 2010-02-11 WO claimed
WO-2018115497-A1 PROTEASOME INHIBITING ß-LACTAM PRODRUGS USEFUL FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS VITA API (FR) 2018-06-28 WO disclosed
EP-2403481-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A GABAPENTIN PRODRUG XenoPort, Inc. (US) 2012-01-11 EP disclosed
WO-2010102252-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A GABAPENTIN PRODRUG XENOPORT, INC. (US) 2010-09-10 WO disclosed
WO-2010017498-A1 METHODS OF SYNTHESIZING N-HYDROXYSUCCINIMIDYL CARBONATES XENOPORT, INC. (US) 2010-02-11 WO disclosed
EP-1608357-A4 TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS XENOPORT INC (US) 2008-03-26 EP disclosed
EP-1677767-A4 CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG XENOPORT INC (US) 2008-03-05 EP disclosed
EP-1677767-A2 CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG Xenoport, Inc. (US) 2006-07-12 EP disclosed
EP-1677812-A2 TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS Xenoport, Inc. (US) 2006-07-12 EP disclosed
EP-1608357-A2 TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS Xenoport, Inc. (US) 2005-12-28 EP disclosed
WO-2005037784-A2 CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG XENOPORT, INC. (US) 2005-04-28 WO disclosed
WO-2005027850-A2 TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2005-03-31 WO disclosed
WO-2004089289-A2 TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2004-10-21 WO disclosed