SCHEMBL559576

SCHEMBL559576

NC[C@H](CC(=O)O)c1ccc(Cl)c(NCc2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
GABBR2 O75899 4/20 0.45
GABBR1 Q9UBS5 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP2C9 P11712 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 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
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 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
Hydrochloric Acid SCHEMBL559288 0.99 RAB9A (0.45) RAB9AGABBR2GABBR1KMT2ACYP2C9
SCHEMBL560154 0.84 GABBR2 (0.48) GABBR2GABBR1KMT2ACYP2C9LMNA
SCHEMBL560033 0.83 GABBR2 (0.47) RAB9AGABBR2GABBR1KMT2ACYP2C9
SCHEMBL561452 0.83 GABBR2 (0.47) RAB9AGABBR2GABBR1KMT2ACYP2C9
SCHEMBL560568 0.81 KMT2A (0.58) GABBR2GABBR1KMT2ACYP2C9LMNA
Hydrochloric Acid SCHEMBL559617 0.81 KMT2A (0.57) GABBR2GABBR1KMT2ACYP2C9LMNA
Hydrochloric Acid SCHEMBL559848 0.81 KMT2A (0.57) GABBR2GABBR1KMT2ACYP2C9LMNA
SCHEMBL559596 0.80 CDK5 (0.47) RAB9AGABBR2GABBR1KMT2ACYP2C9
SCHEMBL560641 0.80 GABBR2 (0.46) GABBR2GABBR1KMT2ACYP2C9LMNA
Hydrochloric Acid SCHEMBL560285 0.80 GABBR2 (0.46) RAB9AGABBR2GABBR1KMT2ACYP2C9

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 RAB9A 1116/4885GABBR2 4/4885GABBR1 5/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 RAB9A 1116/4885GABBR2 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.