SCHEMBL560208

SCHEMBL560208

COC(=O)c1ccc(-c2cc([C@H](CN)CC(=O)O)ccc2Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
GABBR2 O75899 5/20 0.45
GABBR1 Q9UBS5 5/20 0.45
LMNA P02545 3/20 0.45
CYP2C9 P11712 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
NFKB1 P19838 1/20 0.45
DRD3 P35462 1/20 0.45
BLM P54132 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL560145 0.90 GABBR2 (0.50) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL561151 0.90 GABBR2 (0.43) GAAGABBR2GABBR1LMNACYP2C9
Hydrochloric Acid SCHEMBL560359 0.89 GABBR2 (0.49) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL559313 0.85 GABBR2 (0.45) GAAGABBR2GABBR1LMNACYP2C9
Hydrochloric Acid SCHEMBL560384 0.84 GABBR2 (0.44) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL559974 0.83 HPGD (0.39) LMNAKMT2ATSHRALDH1A1HPGD
SCHEMBL560293 0.78 GABBR2 (0.47) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL559664 0.73 GABBR2 (0.49) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL559501 0.73 GABBR2 (0.49) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL560428 0.73 GABBR2 (0.58) GAAGABBR2GABBR1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344028-B2 Gamma-amino-butyric acid derivatives as GABAB receptor ligands XENOPORT, INC. (US) 2013-01-01 US disclosed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 EP disclosed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 US disclosed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 US disclosed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 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 (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-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 GAA 595/4885GABBR2 4/4885GABBR1 5/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 GAA 595/4885GABBR2 4/4885GABBR1 5/4885

“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.