SCHEMBL559582

SCHEMBL559582

NC[C@H](CC(=O)O)c1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 5/20 0.50
GABBR1 Q9UBS5 5/20 0.50
CYP2C9 P11712 3/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
NFKB1 P19838 1/20 0.50
DRD3 P35462 1/20 0.50
BLM P54132 1/20 0.50
CYP2D6 P10635 1/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
FFAR1 O14842 1/20 0.45
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
P2RY1 P47900 1/20 0.40

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
Hydrochloric Acid SCHEMBL559577 0.99 GABBR2 (0.49) GABBR2GABBR1CYP2C9LMNACYP3A4
SCHEMBL22954117 0.81 GABBR2 (0.51) GABBR2GABBR1CYP2C9LMNACYP3A4
SCHEMBL559267 0.77 GABBR2 (0.54) GABBR2GABBR1CYP2C9LMNACYP3A4
SCHEMBL560521 0.75 GABBR2 (0.51) GABBR2GABBR1CYP2C9LMNACYP3A4
Hydrochloric Acid SCHEMBL559185 0.74 GABBR2 (0.50) GABBR2GABBR1CYP2C9LMNACYP3A4
SCHEMBL560637 0.74 GABBR2 (0.50) GABBR2GABBR1CYP2C9LMNACYP3A4
Hydrochloric Acid SCHEMBL559920 0.74 GABBR2 (0.56) GABBR2GABBR1CYP2C9LMNACYP3A4
Hydrochloric Acid SCHEMBL560374 0.74 GABBR2 (0.56) GABBR2GABBR1CYP2C9LMNACYP3A4
Hydrochloric Acid SCHEMBL560083 0.73 GABBR2 (0.49) GABBR2GABBR1CYP2C9LMNACYP3A4
SCHEMBL560516 0.73 GABBR2 (0.59) GABBR2GABBR1CYP2C9LMNACYP3A4

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 10 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 claimed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 EP claimed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 US claimed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 US claimed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 WO claimed
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 GABBR2 4/4885GABBR1 5/4885CYP2C9 2316/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 GABBR2 4/4885GABBR1 5/4885CYP2C9 2316/4885

“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.