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Sugi Predict / Compounds / SCHEMBL25774

SCHEMBL25774

SCHEMBL25774

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ USP2 O75604 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
▸ MAPK1 P28482 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32
▸ EGLN1 Q9GZT9 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
SCHEMBL25397 0.91 ALDH1A1 (0.40) ALDH1A1LMNACYP1A2TSHRUSP2
SCHEMBL27369 0.89 ALDH1A1 (0.36) ALDH1A1LMNACYP1A2TSHRUSP2
SCHEMBL600132 0.87 ALDH1A1 (0.36) ALDH1A1LMNACYP1A2TSHRUSP2
SCHEMBL26475 0.86 ALDH1A1 (0.35) ALDH1A1LMNACYP1A2TSHRUSP2
Gabapentin Enacarbil SCHEMBL977603 0.85 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2TSHRUSP2
SCHEMBL24850 0.85 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2TSHRUSP2
Gabapentin Enacarbil SCHEMBL25455 0.85 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2TSHRUSP2
SCHEMBL2380224 0.82 CYP1A2 (0.36) ALDH1A1LMNACYP1A2TSHRUSP2
SCHEMBL15581692 0.82 ADORA3 (0.43) ALDH1A1LMNATSHRBLMHPGD
SCHEMBL598751 0.82 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2TSHRUSP2

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 44 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-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-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2016-03-31 — — US disclosed
US-9238616-B2 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT, INC. (US) 2016-01-19 — — US disclosed
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF ARBOR PHARMACEUTICALS, LLC 2015-10-29 — — US disclosed
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2013-04-25 — — US disclosed
US-8367722-B2 Methods of using prodrugs of pregabalin XENOPORT, INC. (US) 2013-02-05 — — US disclosed
US-8168623-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2012-05-01 — — 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
US-6818787-B2 FOR THERAPY AND PROPHYLAXIS OF EPILEPSY, DEPRESSION, ANXIETY, PSYCHOSIS, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, PANIC, PAIN, INFLAMMATORY DISEASE, INSOMNIA, GASTROINTESTINAL DISORDERS XENOPORT, INC. 2004-11-16 — — US disclosed
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2004-04-22 — — US disclosed
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof ARBOR PHARMACEUTICALS, LLC 2004-01-08 — — US disclosed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 — — 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 (12 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 148/4885LMNA 3308/4885CYP1A2 648/4885
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885LMNA 3012/4885CYP1A2 135/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885LMNA 3012/4885CYP1A2 135/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885LMNA 3012/4885CYP1A2 135/4885
US-20040254246-A1 Gabapentin, pregabalin GABRB2, GABRB3, GABRB1 ALDH1A1 780/4885LMNA 3119/4885CYP1A2 252/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885LMNA 3012/4885CYP1A2 135/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885LMNA 3012/4885CYP1A2 135/4885
US-20070049626-A1 Treating premature ejaculation using gabapentin and pregabalin prodrugs GABBR1, GABRE, GABRB2 ALDH1A1 764/4885LMNA 1408/4885CYP1A2 243/4885
US-20070049627-A1 Treating vulvodynia using prodrugs of GABA analogs GABBR1, GABBR2, GABRB3 ALDH1A1 445/4885LMNA 3968/4885CYP1A2 335/4885
US-20050192353-A1 Treating or preventing restless legs syndrome using prodrugs of GABA analogs GABRB1, GABBR2, GABARAPL1 ALDH1A1 1006/4885LMNA 453/4885CYP1A2 370/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885LMNA 3012/4885CYP1A2 135/4885
US-20050090550-A1 Treating and/or preventing urinary incontinence using prodrugs of GABA analogs GABBR2, GABRB1, GABBR1 ALDH1A1 72/4885LMNA 2445/4885CYP1A2 627/4885

“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.