SCHEMBL6367487

SCHEMBL6367487

CCOC(=O)CC1(CNC(=O)OCOC(C)=O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6367507 0.86 GAA (0.31) GAAMGAMSIMGAM2KDM4E
SCHEMBL597825 0.85 ALDH1A1 (0.44) ALDH1A1LMNAGAATSHRKMT2A
SCHEMBL2554064 0.84 ALDH1A1 (0.30) ALDH1A1LMNAHSD17B10
SCHEMBL13772646 0.80 MGAM (0.33) GAAMGAMSIMGAM2KDM4E
SCHEMBL598112 0.79 ALDH1A1 (0.44) ALDH1A1LMNAGAATSHRKMT2A
SCHEMBL4577419 0.77 GAA (0.44) ALDH1A1LMNAHSD17B10GAAMGAM
SCHEMBL1747000 0.77 ALDH1A1 (0.47) ALDH1A1LMNAGAATSHRKMT2A
SCHEMBL2544830 0.76 ACHE (0.31)
SCHEMBL12956510 0.76 ALDH1A1 (0.36) ALDH1A1LMNAGAATSHRKMT2A
SCHEMBL6099264 0.76 LMNA (0.44) ALDH1A1LMNAGAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059735-A1 Cyclic amino acid derivatives useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2005-03-17 US claimed
US-20030216469-A1 Cyclic amino acid derivatives useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-11-20 US claimed
EP-1284960-A1 CYCLIC AMINO ACID DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2003-02-26 EP claimed
WO-2001090052-A1 CYCLIC AMINO ACID DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-11-29 WO claimed
US-20050059735-A1 Cyclic amino acid derivatives useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2005-03-17 US disclosed
EP-1404310-A4 ORALLY ADMINISTERED DOSAGE FORMS OF GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY XENOPORT INC (US) 2005-01-12 EP disclosed
US-6833140-B2 Extended release of gamma-aminobutyric acid (GABA); for treatment or prevention of epilepsy, depression, anxiety, psychosis, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, panic, and pain XENOPORT, INC. 2004-12-21 US disclosed
US-20040198820-A1 Orally administered dosage forms of gaba analog prodrugs having reduced toxicity XENOPORT, INC. 2004-10-07 US disclosed
EP-1404310-A1 ORALLY ADMINISTERED DOSAGE FORMS OF GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY Xenoport, Inc. (US) 2004-04-07 EP disclosed
US-20030216469-A1 Cyclic amino acid derivatives useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-11-20 US disclosed
US-20030083382-A1 Orally administered dosage forms of GABA analog prodrugs having reduced toxicity ARBOR PHARMACEUTICALS, LLC 2003-05-01 US disclosed
EP-1284960-A1 CYCLIC AMINO ACID DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2003-02-26 EP disclosed
WO-2002100392-A1 ORALLY ADMINISTERED DOSAGE FORMS OF GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY XENOPORT, INC. (US) 2002-12-19 WO disclosed
WO-2001090052-A1 CYCLIC AMINO ACID DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-11-29 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 (4 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-20040198820-A1 Orally administered dosage forms of gaba analog prodrugs having reduced toxicity GABRB1, GABRB2, GABRB3 ALDH1A1 37/4885LMNA 3884/4885HSD17B10 429/4885
US-20050059735-A1 Cyclic amino acid derivatives useful as pharmaceutical agents QPCT, ARGLU1, PNISR ALDH1A1 3285/4885LMNA 783/4885HSD17B10 4562/4885
US-20030216469-A1 Cyclic amino acid derivatives useful as pharmaceutical agents QPCT, ARGLU1, QPCTL ALDH1A1 3091/4885LMNA 653/4885HSD17B10 4620/4885
US-20030083382-A1 Orally administered dosage forms of GABA analog prodrugs having reduced toxicity GABRB1, GABRB2, GABRB3 ALDH1A1 37/4885LMNA 3884/4885HSD17B10 429/4885

“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.