SCHEMBL612593

SCHEMBL612593

CCCC(OC(=O)CC)OC(=O)NCC1(CC(=O)O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC18A2 Q05940 1/20 0.35
HSD11B1 P28845 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CTSK P43235 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
SCHEMBL26475 0.93 ALDH1A1 (0.35) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL599115 0.91 SLC18A2 (0.33) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL25920 0.90 ALDH1A1 (0.37) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL599081 0.90 ALDH1A1 (0.39) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL26218 0.89 SLC18A2 (0.36) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL598340 0.87 ALDH1A1 (0.35) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL600132 0.84 ALDH1A1 (0.36) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL25397 0.84 ALDH1A1 (0.40) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL25400 0.83 LMNA (0.38) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL2690074 0.83 CTSL (0.40) ALDH1A1HPGDCTSK

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 27 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
WO-2008060572-A1 USE OF GABAPENTIN AND PREGABALIN PRODRUGS FOR TREATING TINNITUS XENOPORT, INC. (US) 2008-05-22 WO claimed
US-7186855-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2007-03-06 US 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-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2004-04-22 US claimed
US-8168623-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2012-05-01 US disclosed
US-20120041061-A1 USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES XENOPORT INC. 2012-02-16 US disclosed
EP-2275401-A1 Crystalline 1-{[(a-isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid XenoPort, Inc. (US) 2011-01-19 EP disclosed
US-20100267946-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-10-21 US disclosed
US-7790708-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2010-09-07 US 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-20070049626-A1 Treating premature ejaculation using gabapentin and pregabalin prodrugs XENOPORT, INC. 2007-03-01 US disclosed
US-20070010453-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2007-01-11 US disclosed
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2006-12-21 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-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2004-04-22 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 (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-20100267946-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885TSHR 2583/4885
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 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-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 ALDH1A1 495/4885CYP1A2 1323/4885TSHR 2118/4885
US-20070010453-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885TSHR 2583/4885
US-20120041061-A1 USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES GABRB1, GABBR1, GABRB3 ALDH1A1 2545/4885CYP1A2 819/4885TSHR 3350/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885TSHR 2583/4885
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 ALDH1A1 495/4885CYP1A2 1323/4885TSHR 2118/4885
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-20070049627-A1 Treating vulvodynia using prodrugs of GABA analogs GABBR1, GABBR2, GABRB3 ALDH1A1 445/4885CYP1A2 335/4885TSHR 3322/4885

“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.