SCHEMBL5338376

SCHEMBL5338376

CCCC(=O)NCC1=c2ccc(O)cc2=COC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX5 P09917 1/20 0.38
EPHX2 P34913 3/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
FAAH O00519 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL5341913 0.88 CYP3A4 (0.39) CYP2C19CYP3A4L3MBTL1ALOX5EPHX2
SCHEMBL6077217 0.88 CYP2C19 (0.42) CYP2C19CYP3A4L3MBTL1ALOX5EPHX2
SCHEMBL7201687 0.87 MTNR1A (0.45) EPHX2
SCHEMBL5346060 0.80 TRPV1 (0.36) CYP2C19CYP3A4L3MBTL1TRPV1MAPT
SCHEMBL7203251 0.73 MTNR1A (0.43)
SCHEMBL6076237 0.71 MEN1 (0.38) CYP2C19L3MBTL1MAPTRAB9AALDH1A1
SCHEMBL6077529 0.71 CYP3A4 (0.39) CYP2C19CYP3A4L3MBTL1ALOX5KDM4E
SCHEMBL5338371 0.70 CYP3A4 (0.43) CYP2C19CYP3A4L3MBTL1ALOX5EPHX2
SCHEMBL770934 0.63 CYP3A4 (0.87) CYP2C19CYP3A4L3MBTL1EPHX2GAA
SCHEMBL12992173 0.62 CYP3A4 (0.68) CYP2C19CYP3A4L3MBTL1EPHX2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183318-B2 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2007-02-27 US disclosed
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
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-6605632-B1 Affinity for melatonin receptors LES LABORATOIRES SERVIER (FR) 2003-08-12 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 (4 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 CYP2C19 355/4885CYP3A4 201/4885L3MBTL1 2712/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R CYP2C19 23/4885CYP3A4 14/4885L3MBTL1 4849/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR CYP2C19 355/4885CYP3A4 201/4885L3MBTL1 2712/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R CYP2C19 29/4885CYP3A4 15/4885L3MBTL1 4848/4885

“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.