SCHEMBL1666942

SCHEMBL1666942

CC(c1ccccc1)C(N)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 1/20 0.52
▸ GABBR1 Q9UBS5 1/20 0.52
▸ CYP2C19 P33261 1/20 0.47
▸ FFAR1 O14842 2/20 0.45
▸ HTT P42858 1/20 0.44
▸ MME P08473 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX5 P09917 1/20 0.42

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
SCHEMBL5319946 0.83 CYP26A1 (0.45) GABBR2GABBR1FFAR1
SCHEMBL5320805 0.82 UGT2B7 (0.49) ADRA2AADRA2CHIF1A
SCHEMBL5144343 0.81 GABBR2 (0.52) GABBR2GABBR1CYP2C19FFAR1ADRA2A
SCHEMBL7320534 0.80 GABBR2 (0.47) GABBR2GABBR1CYP2C19FFAR1HTT
SCHEMBL10022854 0.80 GABBR2 (0.55) GABBR2GABBR1CYP2C19MAPT
SCHEMBL618203 0.80 GABBR2 (0.55) GABBR2GABBR1CYP2C19MAPT
SCHEMBL618204 0.80 GABBR2 (0.55) GABBR2GABBR1CYP2C19MAPT
3,3-Diphenylpropanoic Acid SCHEMBL20981393 0.80 FFAR1 (0.59) GABBR2GABBR1CYP2C19FFAR1ADRA2A
SCHEMBL5327684 0.79 CTSA (0.43) —
SCHEMBL7876564 0.78 GABBR2 (0.53) GABBR2GABBR1CYP2C19ADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1303991-C Stabilized pharmaceutical preparations of gamma-aminobutyric acid derivative process for preparing the same WARNER LAMBERT CO (US) 2007-03-14 — — CN claimed
CN-1301155-A Stable pharmaceutical formulation of gamma-aminobutyric acid derivatives and process for preparing the same WARNER LAMBERT CO (US) 2001-06-27 — — CN claimed
CN-1300213-A Solid composition containing gamma-aminobutyric acid derivative and preparation method thereof WARNER LAMBERT CO (US) 2001-06-20 — — CN claimed
WO-2011038469-A1 SUPPRESSIVE AGENTS PRINCE HENRY'S INSTITUTE OF MEDICAL RESEARCH (AU) 2011-04-07 — — WO disclosed
WO-2010088729-A1 COMPOSITIONS AND USES THEREFOR UNIVERSITY OF TASMANIA THROUGH THE MENZIES RESEARCH INSTITUTE (AU) 2010-08-12 — — WO disclosed
WO-2010022444-A1 METHODS AND AGENTS FOR MODULATING KINASE SIGNALLING PATHWAYS THROUGH MODULATION OF MIXED-LINEAGE KINASE DOMAIN-LIKE PROTEIN (MLKL) THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-03-04 — — WO disclosed
US-20090215669-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETES DIA-B TECH LIMITED (AU) 2009-08-27 — — US disclosed
WO-2009021289-A1 POTASSIUM CHANNEL INHIBITORS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-02-19 — — WO disclosed
EP-1962882-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETES Dia-B Tech Limited (AU) 2008-09-03 — — EP disclosed
WO-2008025069-A1 METHODS OF MODULATING CELLULAR ACTIVITY AND COMPOSITIONS THEREFOR THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-03-06 — — WO disclosed
US-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 — — US disclosed
WO-2007025332-A1 A PEPTIDE AND ZINC ION COMPOSITION FOR TREATING DIABETES AND ENHANCING IMMUNE FUNCTION DIA-B TECH LIMITED (AU) 2007-03-08 — — WO disclosed
US-20070032417-A1 Peptides and therapeutic uses thereof WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-02-08 — — US disclosed
WO-2006000034-A1 CONJUGATES AND THERAPEUTIC USES THEREOF THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-05 — — WO disclosed
CN-1575817-A Gamma-aminobutyric acid derivatives containing, solid compositions and process for preparing the same WARNER LAMBERT CO (US) 2005-02-09 — — CN disclosed
WO-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 — — WO disclosed
CN-1171587-C Solid composition containing gamma-aminobutyric acid derivative and preparation method thereof ��ʲ 2004-10-20 — — CN disclosed
WO-2004058804-A1 PEPTIDES AND THERAPEUTIC USES THEREOF WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2004-07-15 — — WO disclosed
CN-1301155-A Stable pharmaceutical formulation of gamma-aminobutyric acid derivatives and process for preparing the same WARNER LAMBERT CO (US) 2001-06-27 — — CN disclosed
CN-1300213-A Solid composition containing gamma-aminobutyric acid derivative and preparation method thereof WARNER LAMBERT CO (US) 2001-06-20 — — CN 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 (2 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-20070032417-A1 Peptides and therapeutic uses thereof BCL2, BAX, BCL2L13 GABBR2 3067/4885GABBR1 3885/4885CYP2C19 4825/4885
US-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 GABBR2 4665/4885GABBR1 4808/4885CYP2C19 4437/4885

“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.

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