SCHEMBL6075929

SCHEMBL6075929

CC(=O)NCCC1COc2ccc(O)cc2C1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.73
DRD3 P35462 1/20 0.42
MTNR1B P49286 7/20 0.41
KDM4E B2RXH2 1/20 0.38
F13A1 P00488 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALOX5 P09917 1/20 0.36

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
SCHEMBL5344278 0.87 MTNR1A (0.72) MTNR1ADRD3MTNR1BITGB3ITGA2B
SCHEMBL5228871 0.84 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL5346519 0.76 MTNR1A (0.70) MTNR1AMTNR1B
SCHEMBL5341627 0.76 MTNR1A (0.72) MTNR1ADRD3
SCHEMBL6076003 0.76 MTNR1A (0.54) MTNR1ADRD3MTNR1BITGB3ITGA2B
SCHEMBL6075535 0.75 MTNR1A (0.53) MTNR1ADRD3MTNR1BKDM4EITGB3
SCHEMBL6076652 0.73 MTNR1A (0.70) MTNR1AMTNR1BITGB3ITGA2BALOX5
SCHEMBL5346165 0.73 MTNR1A (0.70) MTNR1AMTNR1BITGB3ITGA2BALOX5
SCHEMBL5334595 0.73 MTNR1A (0.70) MTNR1AMTNR1BITGB3ITGA2BALOX5
SCHEMBL7302536 0.72 MTNR1A (0.45) MTNR1ADRD3ITGB3ITGA2BALOX5

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 465/4885DRD3 422/4885MTNR1B 414/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885DRD3 422/4885MTNR1B 414/4885

“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.