SCHEMBL6077210

SCHEMBL6077210

CC(=O)NCC1=C(c2ccccc2)Oc2ccc(O)cc2O1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.78
MTNR1B P49286 4/20 0.38
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 2/20 0.34
ELANE P08246 1/20 0.34
HDAC1 Q13547 1/20 0.34
ESR1 P03372 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 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
SCHEMBL7198383 0.88 MTNR1A (1.00) MTNR1AMTNR1BKMT2AELANENPSR1
SCHEMBL7198597 0.84 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6077132 0.82 MTNR1A (0.52) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL7202654 0.72 MTNR1A (0.70) MTNR1AMTNR1BKMT2AELANEHDAC1
SCHEMBL7021029 0.69 MTNR1A (0.51) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL6077349 0.69 MTNR1A (0.51) MTNR1AMTNR1BKMT2A
SCHEMBL7202107 0.68 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL13201462 0.65 MTNR1A (0.48) MTNR1AMEN1GAAKMT2AESR2
SCHEMBL8321236 0.64 EGFR (0.53)
SCHEMBL18417129 0.64 AHR (0.54) MEN1GAAKMT2ARECQL

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 465/4885MTNR1B 414/4885DRD2 434/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885DRD2 434/4885

“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.