SCHEMBL559762

SCHEMBL559762

NC[C@H](CC(=O)O)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GABBR2 O75899 3/20 0.45
GABBR1 Q9UBS5 3/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 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
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43

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 SCHEMBL560305 0.99 MEN1 (0.44) MEN1KMT2AGABBR2GABBR1LMNA
SCHEMBL560842 0.78 CCR2 (0.52) MEN1KMT2AGABBR2GABBR1LMNA
Hydrochloric Acid SCHEMBL559665 0.77 CCR2 (0.51) MEN1KMT2AGABBR2GABBR1LMNA
SCHEMBL559887 0.75 GABBR2 (0.51) MEN1KMT2AGABBR2GABBR1LMNA
Hydrochloric Acid SCHEMBL560923 0.75 GABBR2 (0.50) MEN1KMT2AGABBR2GABBR1LMNA
SCHEMBL560983 0.75 GABBR2 (0.54) MEN1KMT2AGABBR2GABBR1LMNA
Hydrochloric Acid SCHEMBL560530 0.74 GABBR2 (0.52) MEN1KMT2AGABBR2GABBR1LMNA
SCHEMBL1307704 0.72 GRIK1 (0.65) MEN1KMT2AKDM4ENPC1MAPT
Hydrochloric Acid SCHEMBL559920 0.72 GABBR2 (0.56) MEN1KMT2AGABBR2GABBR1LMNA
SCHEMBL638148 0.71 HDAC1 (0.53) MEN1KMT2AGABBR2GABBR1LMNA

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 MEN1 3738/4885KMT2A 3550/4885GABBR2 4/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 MEN1 3738/4885KMT2A 3550/4885GABBR2 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.