SCHEMBL560388

SCHEMBL560388

COc1cccc(-c2cc([C@H](CN)CC(=O)O)ccc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
FFAR1 O14842 5/20 0.49
GABBR2 O75899 4/20 0.47
GABBR1 Q9UBS5 4/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
THRB P10828 2/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD3 P35462 1/20 0.47
BLM P54132 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45

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 SCHEMBL559482 0.99 GAA (0.52) GAAFFAR1GABBR2GABBR1LMNA
SCHEMBL560428 0.84 GABBR2 (0.58) GAAFFAR1GABBR2GABBR1LMNA
Hydrochloric Acid SCHEMBL559339 0.84 GAA (0.53) GAAFFAR1GABBR2GABBR1LMNA
SCHEMBL560361 0.84 GABBR2 (0.51) GAAGABBR2GABBR1LMNACYP2C9
Hydrochloric Acid SCHEMBL559900 0.83 GABBR2 (0.56) GAAGABBR2GABBR1LMNACYP2C9
Hydrochloric Acid SCHEMBL559480 0.83 GABBR2 (0.50) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL560533 0.83 GABBR2 (0.50) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL560559 0.82 FFAR1 (0.48) GAAFFAR1GABBR2GABBR1LMNA
SCHEMBL560481 0.82 GABBR2 (0.47) GAAFFAR1GABBR2GABBR1LMNA
Hydrochloric Acid SCHEMBL560362 0.82 GABBR2 (0.49) 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 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

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 595/4885FFAR1 190/4885GABBR2 4/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 GAA 595/4885FFAR1 190/4885GABBR2 4/4885

“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.