SCHEMBL3144032

SCHEMBL3144032

O=C(CCC(O)c1cc2ccccc2s1)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HTT P42858 2/20 0.46
SLC1A1 P43005 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
TSHR P16473 2/20 0.42
EPHX2 P34913 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 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
SCHEMBL6529208 0.82 DRD1 (0.47) GAADRD1SLC6A2SLC6A4SLC6A3
SCHEMBL3154321 0.78 ALOX5 (0.51) GAADRD1SLC6A2SLC6A4SLC6A3
SCHEMBL6390193 0.76 HDAC1 (0.57)
SCHEMBL7166881 0.76 GAA (0.62) GAAHPGDPOLBMEN1KMT2A
SCHEMBL7527741 0.72 CA12 (0.49) KMT2AALDH1A1
SCHEMBL21912351 0.71 SLC6A2 (0.47) GAADRD1SLC6A2SLC6A4SLC6A3
SCHEMBL4912317 0.71 CYP2A6 (0.50) GAADRD1SLC6A2SLC6A4SLC6A3
SCHEMBL28046608 0.70 LMNA (0.60) GAAHPGDMEN1KMT2AHTT
SCHEMBL13187991 0.70 RAB9A (0.47) GAADRD1SLC6A2SLC6A4SLC6A3
SCHEMBL29313120 0.70 GAA (0.62) GAAHPGDPOLBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347950-B1 DERIVATIVES OF 4-HYDROXYBUTANOIC ACID AND OF ITS HIGHER HOMOLOGUE AS LIGANDS OF GAMMA-HYDROXYBUTYRATE (GHB) RECEPTORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND PHARMACEUTICAL USES UNIV LOUIS PASTEUR ETABLISSEME (FR) 2010-02-17 EP disclosed
US-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses UNIVERSITE LOUIS PASTEUR (ETABLISSEMENT PUBLIC A CARACTERE SCIENTIFIQUE, CULTUREL ET PROFESSIONNEL) (FR) 2005-05-26 US 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 (1 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-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses GABRB1, GABRA1, GABRA5 GAA 494/4885HPGD 515/4885POLB 1997/4885

“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.