SCHEMBL6077217

SCHEMBL6077217

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX5 P09917 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
EPHX2 P34913 4/20 0.34
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL5338376 0.88 CYP2C19 (0.43) CYP2C19L3MBTL1CYP3A4ALOX5HDAC1
SCHEMBL5341913 0.88 CYP3A4 (0.39) CYP2C19L3MBTL1CYP3A4ALOX5HDAC1
SCHEMBL7201687 0.86 MTNR1A (0.45) EPHX2MTNR1A
SCHEMBL5346060 0.79 TRPV1 (0.36) CYP2C19L3MBTL1CYP3A4ALDH1A1RECQL
SCHEMBL7203251 0.72 MTNR1A (0.43) MTNR1A
SCHEMBL6077215 0.71 ALOX5 (0.43) CYP2C19L3MBTL1CYP3A4ALOX5HDAC1
SCHEMBL6076237 0.68 MEN1 (0.38) CYP2C19L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8269719 0.64 CYP3A4 (0.59) CYP2C19L3MBTL1CYP3A4HDAC1HDAC3
SCHEMBL6824244 0.63 CYP3A4 (0.66) CYP2C19L3MBTL1CYP3A4HDAC1HDAC3
SCHEMBL770934 0.62 CYP3A4 (0.87) CYP2C19L3MBTL1CYP3A4EPHX2ALDH1A1

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-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
CN-1300277-A Novel substituted cyclic compounds, preparation method and pharmaceutical compositions containing them ADIR (FR) 2001-06-20 CN 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 355/4885L3MBTL1 2712/4885CYP3A4 201/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R CYP2C19 23/4885L3MBTL1 4849/4885CYP3A4 14/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR CYP2C19 355/4885L3MBTL1 2712/4885CYP3A4 201/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R CYP2C19 29/4885L3MBTL1 4848/4885CYP3A4 15/4885

“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.