SCHEMBL7020360

SCHEMBL7020360

CC(=O)NCCc1c[nH]c2ccc(OCCCCOc3ccc4[nH]cc(CCNC(C)=O)c4c3)cc12

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.87
MTNR1B P49286 14/20 0.87
NOTUM Q6P988 3/20 0.78
HTR1A P08908 3/20 0.78
KDM4E B2RXH2 2/20 0.78
ALDH1A1 P00352 2/20 0.78
CYP1A2 P05177 2/20 0.78
CYP3A4 P08684 2/20 0.78
CYP2D6 P10635 2/20 0.78
HPGD P15428 2/20 0.78
BLM P54132 2/20 0.78
MEN1 O00255 1/20 0.78
CYP1A1 P04798 1/20 0.78
MPO P05164 1/20 0.78
NQO2 P16083 1/20 0.78
HTR2B P41595 1/20 0.78
RAB9A P51151 1/20 0.78
PMP22 Q01453 1/20 0.78
KMT2A Q03164 1/20 0.78
CYP1B1 Q16678 1/20 0.78

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
SCHEMBL7017649 0.95 MTNR1A (0.87) MTNR1AMTNR1BNOTUMHTR1AKDM4E
SCHEMBL16923847 0.95 MTNR1A (0.87) MTNR1AMTNR1BNOTUMHTR1AKDM4E
SCHEMBL14907323 0.94 MTNR1A (0.78) MTNR1AMTNR1BNOTUMHTR1AKDM4E
SCHEMBL14907352 0.94 MTNR1A (0.78) MTNR1AMTNR1BNOTUMHTR1AKDM4E
SCHEMBL14907332 0.94 MTNR1A (0.78) MTNR1AMTNR1BNOTUMHTR1AKDM4E
SCHEMBL7015644 0.94 MTNR1A (0.78) MTNR1AMTNR1BNOTUMHTR1AKDM4E
SCHEMBL14907338 0.94 MTNR1A (0.78) MTNR1AMTNR1BNOTUMHTR1AKDM4E
SCHEMBL14907324 0.94 MTNR1A (0.78) MTNR1AMTNR1BNOTUMHTR1AKDM4E
SCHEMBL14907331 0.94 MTNR1A (0.78) MTNR1AMTNR1BNOTUMHTR1AKDM4E
SCHEMBL14907339 0.94 MTNR1A (0.78) MTNR1AMTNR1BNOTUMHTR1AKDM4E

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 MTNR1A 4/4885MTNR1B 5/4885NOTUM 4470/4885

“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.