SCHEMBL6075940

SCHEMBL6075940

CCCC(=O)NCC1=Cc2cc(Sc3ccccn3)ccc2OC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
ALOX5 P09917 1/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GCK P35557 7/20 0.34
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 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
SCHEMBL5338371 0.81 CYP3A4 (0.43) MTNR1AALOX5RAB9ACYP3A4CYP2C19
SCHEMBL5344350 0.80 MTNR1A (0.41) MTNR1AALOX5CYP3A4CYP2C19L3MBTL1
SCHEMBL5341910 0.80 MTNR1A (0.44) MTNR1AALOX5CYP3A4CYP2C19L3MBTL1
SCHEMBL6077215 0.80 ALOX5 (0.43) MTNR1AALOX5RAB9AMEN1KMT2A
SCHEMBL7201684 0.79 MTNR1A (0.59) MTNR1AALOX5
SCHEMBL6075945 0.77 HPGD (0.35) RAB9AHPGDMEN1KMT2AALDH1A1
SCHEMBL5336707 0.68 ALOX5 (0.44) MTNR1AALOX5
SCHEMBL5346146 0.68 ALOX5 (0.44) MTNR1AALOX5MEN1KMT2AALDH1A1
SCHEMBL6075644 0.68 CYP3A4 (0.35) MTNR1AALOX5HPGDMEN1KMT2A
SCHEMBL5339038 0.63 KMT2A (0.34) MTNR1AMEN1KMT2ACYP3A4CYP2C19

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 MTNR1A 465/4885ALOX5 2867/4885RAB9A 394/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885ALOX5 2867/4885RAB9A 394/4885

“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.