SCHEMBL597356

SCHEMBL597356

CC(C)CC(CNC(=O)OC(C)(C)OC(=O)C(C)(C)C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 1/20 0.41
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SLC18A2 Q05940 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
MAPT P10636 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
CAPN1 P07384 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
SCHEMBL4261503 1.00 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL598582 0.88 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4267167 0.88 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL599577 0.86 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4258214 0.86 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4263039 0.85 CACNA2D1 (0.40) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL598548 0.85 CACNA2D1 (0.40) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL12896244 0.84 CTSS (0.49) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1047904 0.84 CTSS (0.49) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4265465 0.83 CACNA2D1 (0.38) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086530-A1 USE OF GABAPENTIN AND PREGABALIN PRODRUGS FOR TREATING TINNITUS Xenoport, Inc. (US) 2009-08-12 EP claimed
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 claimed
EP-1928450-A2 TREATING PREMATURE EJACULATION USING GABAPENTIN AND PREGABALIN PRODRUGS Xenoport, Inc. (US) 2008-06-11 EP claimed
WO-2008060572-A1 USE OF GABAPENTIN AND PREGABALIN PRODRUGS FOR TREATING TINNITUS XENOPORT, INC. (US) 2008-05-22 WO claimed
WO-2007027477-A2 TREATING VULVODYNIA USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2007-03-08 WO claimed
WO-2007027476-A2 TREATING PREMATURE EJACULATION USING GABAPENTIN AND PREGABALIN PRODRUGS XENOPORT, INC. (US) 2007-03-08 WO claimed
US-20070049626-A1 Treating premature ejaculation using gabapentin and pregabalin prodrugs XENOPORT, INC. 2007-03-01 US claimed
US-20070049627-A1 Treating vulvodynia using prodrugs of GABA analogs XENOPORT, INC. 2007-03-01 US claimed
US-20120041061-A1 USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES XENOPORT INC. 2012-02-16 US disclosed
US-8114909-B2 Utilizing extended release forms with reduced rates of systemic clearance; eliminating significant side effects XENOPORT, INC. (US) 2012-02-14 US disclosed
US-20100166825-A1 TREATING AND/OR PREVENTING URINARY INCONTINENCE USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2010-07-01 US disclosed
US-7700652-B2 Treating urinary incontinence using prodrugs of GABA analogs XENOPORT, INC. (US) 2010-04-20 US disclosed
EP-2101752-A1 USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES Xenoport, Inc. (US) 2009-09-23 EP disclosed
EP-2086530-A1 USE OF GABAPENTIN AND PREGABALIN PRODRUGS FOR TREATING TINNITUS Xenoport, Inc. (US) 2009-08-12 EP disclosed
US-20050209319-A1 Treatment of local pain XENOPORT, INC. (US) 2005-09-22 US disclosed
US-20050192353-A1 Treating or preventing restless legs syndrome using prodrugs of GABA analogs HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2005-09-01 US disclosed
US-20050090550-A1 Treating and/or preventing urinary incontinence using prodrugs of GABA analogs ARBOR PHARMACEUTICALS, LLC 2005-04-28 US disclosed
WO-2005025562-A1 TREATING AND/OR PREVENTING URINARY INCONTINENCE USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2005-03-24 WO disclosed
US-20040254246-A1 Gabapentin, pregabalin XENOPORT, INC. 2004-12-16 US disclosed
WO-2004089289-A2 TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2004-10-21 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 (9 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-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 CACNA2D1 298/4885CACNB3 136/4885CACNA1C 43/4885
US-20120041061-A1 USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES GABRB1, GABBR1, GABRB3 CACNA2D1 1560/4885CACNB3 289/4885CACNA1C 695/4885
US-20040254246-A1 Gabapentin, pregabalin GABRB2, GABRB3, GABRB1 CACNA2D1 361/4885CACNB3 37/4885CACNA1C 42/4885
US-20050209319-A1 Treatment of local pain GABBR1, GABBR2, GABRB2 CACNA2D1 517/4885CACNB3 18/4885CACNA1C 57/4885
US-20070049626-A1 Treating premature ejaculation using gabapentin and pregabalin prodrugs GABBR1, GABRE, GABRB2 CACNA2D1 948/4885CACNB3 251/4885CACNA1C 364/4885
US-20100166825-A1 TREATING AND/OR PREVENTING URINARY INCONTINENCE USING PRODRUGS OF GABA ANALOGS GABBR2, GABRB1, GABBR1 CACNA2D1 2414/4885CACNB3 613/4885CACNA1C 878/4885
US-20070049627-A1 Treating vulvodynia using prodrugs of GABA analogs GABBR1, GABBR2, GABRB3 CACNA2D1 869/4885CACNB3 107/4885CACNA1C 156/4885
US-20050192353-A1 Treating or preventing restless legs syndrome using prodrugs of GABA analogs GABRB1, GABBR2, GABARAPL1 CACNA2D1 703/4885CACNB3 51/4885CACNA1C 59/4885
US-20050090550-A1 Treating and/or preventing urinary incontinence using prodrugs of GABA analogs GABBR2, GABRB1, GABBR1 CACNA2D1 2414/4885CACNB3 613/4885CACNA1C 878/4885

“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.