SCHEMBL7017328

SCHEMBL7017328

CC(=O)NCCc1cn(S(=O)(=O)c2ccccc2)c2ccc(OCCCCOc3ccc4c(c3)c(CCNC(C)=O)cn4S(=O)(=O)c3ccccc3)cc12

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.63
MTNR1A P48039 14/20 0.57
MTNR1B P49286 13/20 0.57
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR1E P28566 1/20 0.55
HTR1F P30939 1/20 0.55
HTR7 P34969 1/20 0.55
DRD3 P35462 1/20 0.55
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53

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
SCHEMBL7018452 0.94 MTNR1A (0.69) MTNR1AMTNR1B
SCHEMBL7024537 0.90 HTR6 (0.77) HTR6MTNR1AMTNR1BHTR1ADRD2
SCHEMBL7023756 0.85 HTR6 (0.68) HTR6MTNR1AMTNR1BHTR1ADRD2
SCHEMBL18222500 0.83 HTR6 (0.52) HTR6MTNR1AMTNR1BPPARGPPARD
SCHEMBL2002274 0.83 HTR6 (0.48) HTR6MTNR1AMTNR1BHTR1ADRD2
SCHEMBL3017284 0.81 HTR6 (0.68) HTR6MTNR1AMTNR1BHTR1ADRD2
SCHEMBL3024372 0.81 HTR6 (0.55) HTR6MTNR1AMTNR1BPPARGPPARD
SCHEMBL7437268 0.78 HTR6 (0.71) HTR6MTNR1AMTNR1BHTR1ADRD2
SCHEMBL11015806 0.78 HTR6 (0.59) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL3029648 0.78 PPARG (0.72) HTR6HTR1ADRD2HTR1DHTR1B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038863-B1 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2003-06-04 EP claimed
US-20020035114-A1 Substituted dimeric compounds LESIEUR DANIEL (FR) 2002-03-21 US claimed
US-6319930-B1 CONTAINING FUSED AROMATIC CARBO- OR HETEROCYCLIC RINGS AND AMIDE, THIOAMIDE, UREA OR THIOUREA GROUPS; USEFUL IN TREATING OR IN PREVENTING MELATONINERGIC DISORDERS. ADIR ET COMPAGNIE (FR) 2001-11-20 US claimed
EP-1038863-A2 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof ADIR ET COMPAGNIE (FR) 2000-09-27 EP claimed
US-6635650-B2 Such as N-(2-(7-(2-((8-(2-(acetyl-amino)ethyl)-2-naphthyl) oxy)ethoxy)-1-napthyl)ethyl)acetamide for treating or preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-10-21 US disclosed
EP-1038863-B1 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2003-06-04 EP disclosed
US-20020035114-A1 Substituted dimeric compounds LESIEUR DANIEL (FR) 2002-03-21 US disclosed
US-6319930-B1 CONTAINING FUSED AROMATIC CARBO- OR HETEROCYCLIC RINGS AND AMIDE, THIOAMIDE, UREA OR THIOUREA GROUPS; USEFUL IN TREATING OR IN PREVENTING MELATONINERGIC DISORDERS. ADIR ET COMPAGNIE (FR) 2001-11-20 US disclosed
EP-1038863-A2 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof ADIR ET COMPAGNIE (FR) 2000-09-27 EP 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 (1 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-20020035114-A1 Substituted dimeric compounds NR0B2, NR0B1, NR2C2 HTR6 463/4885MTNR1A 4/4885MTNR1B 5/4885

“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.