SCHEMBL598783

SCHEMBL598783

CCC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
CACNA2D1 P54289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC18A2 Q05940 1/20 0.33
HSD11B1 P28845 1/20 0.32
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL598340 0.91 ALDH1A1 (0.35) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL598614 0.86 ALDH1A1 (0.39) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL599081 0.86 ALDH1A1 (0.39) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL560498 0.85 ALDH1A1 (0.38) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL598388 0.85 ALDH1A1 (0.38) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL25625 0.83 ALDH1A1 (0.36) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL600132 0.83 ALDH1A1 (0.36) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL26073 0.79 ALDH1A1 (0.41) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL3813842 0.79
SCHEMBL1746363 0.78 ALDH1A1 (0.45) ALDH1A1CYP1A2TSHRUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2007027476-A2 TREATING PREMATURE EJACULATION USING GABAPENTIN AND PREGABALIN PRODRUGS XENOPORT, INC. (US) 2007-03-08 WO claimed
WO-2007027477-A2 TREATING VULVODYNIA USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2007-03-08 WO claimed
US-20070049627-A1 Treating vulvodynia using prodrugs of GABA analogs XENOPORT, INC. 2007-03-01 US claimed
US-20070049626-A1 Treating premature ejaculation using gabapentin and pregabalin prodrugs 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
US-20090041806-A1 USE OF PRODRUGS OF GABA ANALOGS, ANTISPASTICITY AGENTS, AND PRODRUGS OF GABA B RECEPTOR AGONISTS FOR TREATING SPASTICITY XENOPORT, INC. (US) 2009-02-12 US disclosed
US-20080161393-A1 Use of prodrugs of GABA analogs for treating disease XENOPORT, INC. 2008-07-03 US disclosed
US-20070049626-A1 Treating premature ejaculation using gabapentin and pregabalin prodrugs XENOPORT, INC. 2007-03-01 US disclosed
US-20070049627-A1 Treating vulvodynia using prodrugs of GABA analogs XENOPORT, INC. 2007-03-01 US disclosed
WO-2005089872-A2 TREATMENT OF LOCAL PAIN XENOPORT, INC. (US) 2005-09-29 WO 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
US-20040254246-A1 Gabapentin, pregabalin XENOPORT, INC. 2004-12-16 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 (11 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 ALDH1A1 148/4885CYP1A2 648/4885TSHR 2185/4885
US-20090041806-A1 USE OF PRODRUGS OF GABA ANALOGS, ANTISPASTICITY AGENTS, AND PRODRUGS OF GABA B RECEPTOR AGONISTS FOR TREATING SPASTICITY GABBR2, GABBR1, GABRB2 ALDH1A1 2011/4885CYP1A2 678/4885TSHR 1300/4885
US-20120041061-A1 USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES GABRB1, GABBR1, GABRB3 ALDH1A1 2545/4885CYP1A2 819/4885TSHR 3350/4885
US-20040254246-A1 Gabapentin, pregabalin GABRB2, GABRB3, GABRB1 ALDH1A1 780/4885CYP1A2 252/4885TSHR 2342/4885
US-20080161393-A1 Use of prodrugs of GABA analogs for treating disease GABRB1, GABBR1, GABRB3 ALDH1A1 2510/4885CYP1A2 845/4885TSHR 3344/4885
US-20050209319-A1 Treatment of local pain GABBR1, GABBR2, GABRB2 ALDH1A1 1056/4885CYP1A2 826/4885TSHR 4621/4885
US-20070049626-A1 Treating premature ejaculation using gabapentin and pregabalin prodrugs GABBR1, GABRE, GABRB2 ALDH1A1 764/4885CYP1A2 243/4885TSHR 4693/4885
US-20100166825-A1 TREATING AND/OR PREVENTING URINARY INCONTINENCE USING PRODRUGS OF GABA ANALOGS GABBR2, GABRB1, GABBR1 ALDH1A1 72/4885CYP1A2 627/4885TSHR 4172/4885
US-20070049627-A1 Treating vulvodynia using prodrugs of GABA analogs GABBR1, GABBR2, GABRB3 ALDH1A1 445/4885CYP1A2 335/4885TSHR 3322/4885
US-20050192353-A1 Treating or preventing restless legs syndrome using prodrugs of GABA analogs GABRB1, GABBR2, GABARAPL1 ALDH1A1 1006/4885CYP1A2 370/4885TSHR 1724/4885
US-20050090550-A1 Treating and/or preventing urinary incontinence using prodrugs of GABA analogs GABBR2, GABRB1, GABBR1 ALDH1A1 72/4885CYP1A2 627/4885TSHR 4172/4885

“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.