SCHEMBL6077529

SCHEMBL6077529

CCCC(=O)NCC1=c2ccc(O)cc2=COC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTNR1A P48039 2/20 0.37
MTNR1B P49286 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALOX5 P09917 1/20 0.34
TRPV1 Q8NER1 5/20 0.34
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL5225148 0.85 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL12992173 0.66 CYP3A4 (0.68) CYP3A4CYP2C19L3MBTL1HPGDCNR1
SCHEMBL6077525 0.66 MTNR1A (0.73) CYP3A4CYP2C19L3MBTL1MTNR1AMTNR1B
SCHEMBL5726646 0.65 HTT (0.55) CYP3A4CYP2C19L3MBTL1TRPV1TP53
SCHEMBL27439766 0.63 ALDH5A1 (0.31)
SCHEMBL17549817 0.60 CYP3A4 (0.68) CYP3A4CYP2C19L3MBTL1KDM4EMEN1
SCHEMBL770934 0.58 CYP3A4 (0.87) CYP3A4CYP2C19L3MBTL1MEN1GAA
SCHEMBL18134836 0.58 CYP3A4 (0.65) CYP3A4CYP2C19L3MBTL1KDM4EMEN1
SCHEMBL9938968 0.58 CYP3A4 (0.51) CYP3A4CYP2C19L3MBTL1KDM4EMEN1
SCHEMBL29196210 0.58 HPGD (0.70) MEN1HPGDKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 US disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 US disclosed
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 US disclosed
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 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-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR CYP3A4 201/4885CYP2C19 355/4885L3MBTL1 2712/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR CYP3A4 201/4885CYP2C19 355/4885L3MBTL1 2712/4885

“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.