SCHEMBL614902

SCHEMBL614902

C=CCOC(=O)CC1(CNC(=O)OC(C)OC(=O)C(C)C)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL612598 0.86 TDP1 (0.34) TDP1ALDH1A1GAANPSR1
Gabapentin Enacarbil SCHEMBL977603 0.82 ALDH1A1 (0.41) ALDH1A1GAA
Gabapentin Enacarbil SCHEMBL25455 0.82 ALDH1A1 (0.41) ALDH1A1GAA
SCHEMBL12152103 0.82 SLC18A2 (0.30)
SCHEMBL13539034 0.81 EPHX2 (0.32)
Gabapentin Enacarbil SCHEMBL1077726 0.80
SCHEMBL15984575 0.79 CTSK (0.33)
SCHEMBL1078249 0.78 CTSS (0.42) ALDH1A1
SCHEMBL26585 0.76 SLC18A2 (0.31)
SCHEMBL7825503 0.75 ALDH1A1 (0.38) TDP1ALDH1A1GAA

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
US-20200283376-A1 Crystalline Form of y-Aminobutyric Acid Analog ARBOR PHARMACEUTICALS, LLC 2020-09-10 US disclosed
US-20190152900-A1 CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG ARBOR PHARMACEUTICALS LLC (US) 2019-05-23 US disclosed
US-20170183296-A1 CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG ARBOR PHARMACEUTICALS, LLC 2017-06-29 US disclosed
US-20150353483-A1 CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG XENOPORT, INC. (US) 2015-12-10 US disclosed
US-9150503-B2 Crystalline form of γ-aminobutyric acid analog XENOPORT, INC. (US) 2015-10-06 US disclosed
US-20140235710-A1 CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG XENOPORT, INC. (US) 2014-08-21 US disclosed
EP-2275401-B1 Crystalline 1-{[(alpha-isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid XENOPORT INC (US) 2013-04-03 EP disclosed
US-20120041061-A1 USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES XENOPORT INC. 2012-02-16 US disclosed
US-20110313036-A1 CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG XENOPORT, INC. (US) 2011-12-22 US disclosed
US-8026279-B2 Crystalline form of γ-aminobutyric acid analog XENOPORT, INC. (US) 2011-09-27 US disclosed
US-20100056632-A1 CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG XENOPORT, INC. (US) 2010-03-04 US disclosed
US-7423169-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2008-09-09 US disclosed
US-20080188562-A1 1-{[ alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid and 3-{[( alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-5-methyl hexanoic acid; extended oral release dosage form with a reduced rate of systemic clearance and without significant side effects XENOPORT, INC. 2008-08-07 US disclosed
US-20080161393-A1 Use of prodrugs of GABA analogs for treating disease XENOPORT, INC. 2008-07-03 US disclosed
US-20080058546-A1 Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs XENOPORT, INC 2008-03-06 US disclosed
US-7232924-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2007-06-19 US disclosed
US-20070049627-A1 Treating vulvodynia using prodrugs of GABA analogs XENOPORT, INC. 2007-03-01 US disclosed
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2006-12-21 US disclosed
US-20050154057-A1 Crystalline 1-{[( alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid; may be used as therapeutic agents in the treatment of neuropathic pain and post-herpetic neuralgia HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2005-07-14 US disclosed
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2004-01-22 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 (15 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-20190152900-A1 CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG GABRB2, GABRB1, GABRB3 TDP1 1479/4885ALDH1A1 1810/4885GAA 194/4885
US-20080188562-A1 1-{[ alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid and 3-{[( alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-5-methyl hexanoic acid; extended oral release dosage form with a reduced rate of systemic clearance and without significant side effects GABRB1, GABBR1, GABRB2 TDP1 1621/4885ALDH1A1 148/4885GAA 1451/4885
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 TDP1 3201/4885ALDH1A1 495/4885GAA 1099/4885
US-20140235710-A1 CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG GABRB2, GABRB1, GABRB3 TDP1 1479/4885ALDH1A1 1810/4885GAA 194/4885
US-20110313036-A1 CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG GABRB2, GABRB1, GABRB3 TDP1 1479/4885ALDH1A1 1810/4885GAA 194/4885
US-20120041061-A1 USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES GABRB1, GABBR1, GABRB3 TDP1 1971/4885ALDH1A1 2545/4885GAA 194/4885
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 TDP1 3201/4885ALDH1A1 495/4885GAA 1099/4885
US-20080161393-A1 Use of prodrugs of GABA analogs for treating disease GABRB1, GABBR1, GABRB3 TDP1 1964/4885ALDH1A1 2510/4885GAA 195/4885
US-20150353483-A1 CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG GABRB2, GABRB1, GABRB3 TDP1 1479/4885ALDH1A1 1810/4885GAA 194/4885
US-20080058546-A1 Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs GABRB1, GABRB3, GABBR1 TDP1 3201/4885ALDH1A1 495/4885GAA 1099/4885
US-20050154057-A1 Crystalline 1-{[( alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid; may be used as therapeutic agents in the treatment of neuropathic pain and post-herpetic neuralgia GABRB1, GABRP, GABRA1 TDP1 1773/4885ALDH1A1 798/4885GAA 236/4885
US-20200283376-A1 Crystalline Form of y-Aminobutyric Acid Analog GABRB2, GABRB1, GABRB3 TDP1 1479/4885ALDH1A1 1810/4885GAA 194/4885
US-20070049627-A1 Treating vulvodynia using prodrugs of GABA analogs GABBR1, GABBR2, GABRB3 TDP1 674/4885ALDH1A1 445/4885GAA 710/4885
US-20100056632-A1 CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG GABRB2, GABRB1, GABRB3 TDP1 1479/4885ALDH1A1 1810/4885GAA 194/4885
US-20170183296-A1 CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG GABRB2, GABRB1, GABRB3 TDP1 1479/4885ALDH1A1 1810/4885GAA 194/4885

“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.