SCHEMBL5344076

SCHEMBL5344076

CC(=O)NCCc1cn(C)c2ncc(O)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.72
MTNR1B P49286 10/20 0.49
NQO2 P16083 2/20 0.49
SPR P35270 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
BLM P54132 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
IDO1 P14902 1/20 0.44
NOTUM Q6P988 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
F13A1 P00488 1/20 0.39

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
SCHEMBL7017774 0.88 MTNR1A (0.74) MTNR1AMTNR1BNQO2
SCHEMBL7104530 0.86 MTNR1A (0.56) MTNR1AMTNR1BNQO2SPR
SCHEMBL8134992 0.84 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL8143092 0.83 MTNR1A (0.81) MTNR1AMTNR1BNQO2
SCHEMBL8137642 0.81 MTNR1A (0.78) MTNR1AMTNR1BNQO2
SCHEMBL8134907 0.80 MTNR1A (0.76) MTNR1AMTNR1BNQO2
SCHEMBL8128204 0.79 MTNR1A (0.74) MTNR1AMTNR1BNQO2
SCHEMBL7237297 0.78 MTNR1A (0.72) MTNR1AMTNR1BNQO2
SCHEMBL7244412 0.77 MTNR1A (0.70) MTNR1AMTNR1BNQO2
SCHEMBL31543647 0.76 SPR (0.73) MTNR1AMTNR1BNQO2SPRKDM4E

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-20070123529-A1 Substituted biphenyl compounds LES LABORATOIRES SERVIER (FR) 2007-05-31 US disclosed
US-7161035-B2 Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2007-01-09 US disclosed
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 (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-20020035114-A1 Substituted dimeric compounds NR0B2, NR0B1, NR2C2 MTNR1A 4/4885MTNR1B 5/4885NQO2 391/4885
US-20070123529-A1 Substituted biphenyl compounds MTNR1A, MTNR1B, CNR1 MTNR1A 1/4885MTNR1B 2/4885NQO2 522/4885

“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.