SCHEMBL559950

SCHEMBL559950

NC[C@H](CC(=O)O)c1ccc(Cl)c(Nc2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 5/20 0.50
GABBR1 Q9UBS5 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 1/20 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
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
THRB P10828 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.42
PRKCZ Q05513 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL560248 0.89 GABBR2 (0.54) GABBR2GABBR1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL559042 0.88 GABBR2 (0.52) GABBR2GABBR1MEN1KMT2ALMNA
SCHEMBL560076 0.86 GABBR2 (0.50) GABBR2GABBR1MEN1KMT2ALMNA
SCHEMBL560445 0.85 GABBR2 (0.52) GABBR2GABBR1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL559973 0.84 GABBR2 (0.51) GABBR2GABBR1MEN1KMT2ALMNA
SCHEMBL560568 0.84 KMT2A (0.58) GABBR2GABBR1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL559617 0.83 KMT2A (0.57) GABBR2GABBR1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL559848 0.83 KMT2A (0.57) GABBR2GABBR1MEN1KMT2ALMNA
SCHEMBL560272 0.83 GAA (0.50) GABBR2GABBR1MEN1KMT2ALMNA
SCHEMBL559388 0.81 GABBR2 (0.47) GABBR2GABBR1MEN1KMT2ALMNA

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 5/4885MEN1 3738/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 GABBR2 4/4885GABBR1 5/4885MEN1 3738/4885

“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.