SCHEMBL6076320

SCHEMBL6076320

CC(=O)NCC1=Cc2cc(SC3CCC3)ccc2OC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.59
ALOX5 P09917 14/20 0.36
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
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
SCHEMBL6075347 0.78 MTNR1A (0.71) MTNR1AALOX5MAPTMEN1KMT2A
SCHEMBL7201065 0.75 MTNR1A (1.00) MTNR1AALOX5MAPTMEN1KMT2A
SCHEMBL7199698 0.70 MTNR1A (0.72) MTNR1AALOX5ALOX12
SCHEMBL7962738 0.69 MTNR1A (0.54) MTNR1AMAPT
SCHEMBL6076181 0.67 MTNR1A (0.62) MTNR1AALOX5KMT2AMAPK1TP53
SCHEMBL6076621 0.66 MTNR1A (0.50) MTNR1A
SCHEMBL6077525 0.65 MTNR1A (0.73) MTNR1AALOX5MAPTMEN1KMT2A
SCHEMBL5225146 0.62 MTNR1A (1.00) MTNR1AALOX5MAPTMEN1KMT2A
SCHEMBL7019321 0.61 MTNR1A (0.80) MTNR1AALOX5MAPTMEN1KMT2A
SCHEMBL9730606 0.61 ALOX5 (0.70) MTNR1AALOX5ALOX12

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 2867/4885MAPT 3560/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885ALOX5 2867/4885MAPT 3560/4885

“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.