SCHEMBL599115

SCHEMBL599115

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 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) SLC18A2USP2ALDH1A1LMNACYP1A2
SCHEMBL26218 0.92 SLC18A2 (0.36) SLC18A2USP2ALDH1A1LMNACYP1A2
SCHEMBL612593 0.91 ALDH1A1 (0.37) SLC18A2USP2ALDH1A1LMNACYP1A2
SCHEMBL600132 0.85 ALDH1A1 (0.36) SLC18A2USP2ALDH1A1LMNACYP1A2
SCHEMBL598388 0.83 ALDH1A1 (0.38) SLC18A2USP2ALDH1A1LMNACYP1A2
SCHEMBL25774 0.82 ALDH1A1 (0.37) SLC18A2USP2ALDH1A1LMNACYP1A2
SCHEMBL25920 0.82 ALDH1A1 (0.37) SLC18A2USP2ALDH1A1LMNACYP1A2
SCHEMBL599081 0.81 ALDH1A1 (0.39) SLC18A2USP2ALDH1A1LMNACYP1A2
SCHEMBL27369 0.81 ALDH1A1 (0.36) SLC18A2USP2ALDH1A1LMNACYP1A2
SCHEMBL25443 0.80 ALDH1A1 (0.37) SLC18A2USP2ALDH1A1LMNACYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070049627-A1 Treating vulvodynia using prodrugs of GABA analogs XENOPORT, INC. 2007-03-01 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040254246-A1 Gabapentin, pregabalin GABRB2, GABRB3, GABRB1 SLC18A2 56/4885USP2 1477/4885ALDH1A1 780/4885
US-20100166825-A1 TREATING AND/OR PREVENTING URINARY INCONTINENCE USING PRODRUGS OF GABA ANALOGS GABBR2, GABRB1, GABBR1 SLC18A2 54/4885USP2 261/4885ALDH1A1 72/4885
US-20070049627-A1 Treating vulvodynia using prodrugs of GABA analogs GABBR1, GABBR2, GABRB3 SLC18A2 46/4885USP2 1317/4885ALDH1A1 445/4885
US-20050192353-A1 Treating or preventing restless legs syndrome using prodrugs of GABA analogs GABRB1, GABBR2, GABARAPL1 SLC18A2 98/4885USP2 583/4885ALDH1A1 1006/4885
US-20050090550-A1 Treating and/or preventing urinary incontinence using prodrugs of GABA analogs GABBR2, GABRB1, GABBR1 SLC18A2 54/4885USP2 261/4885ALDH1A1 72/4885

“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.