SCHEMBL5339923

SCHEMBL5339923

O=C(NCCc1cccc2ccc(O)cc12)C1CC1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.71
MTNR1B P49286 9/20 0.69
NQO2 P16083 4/20 0.62
SPR P35270 1/20 0.61
TRPV1 Q8NER1 1/20 0.54

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
SCHEMBL5346620 0.95 MTNR1A (0.72) MTNR1AMTNR1BNQO2SPRTRPV1
SCHEMBL5340060 0.87 MTNR1A (0.64) MTNR1AMTNR1BNQO2SPR
SCHEMBL8613611 0.86 SPR (0.62) MTNR1AMTNR1BNQO2SPR
SCHEMBL8065405 0.85 MTNR1A (0.67) MTNR1AMTNR1BNQO2
SCHEMBL27450734 0.84 MTNR1A (0.70) MTNR1AMTNR1BNQO2
SCHEMBL29493844 0.83 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL6075677 0.83 MTNR1A (0.72) MTNR1AMTNR1BNQO2
SCHEMBL6247137 0.83 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL6075546 0.83 MTNR1A (0.72) MTNR1AMTNR1BNQO2
SCHEMBL27490705 0.82 MTNR1A (0.77) MTNR1AMTNR1BNQO2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183318-B2 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2007-02-27 US disclosed
CN-1181050-C Novel substituted dimeric compounds, its preparing process and medicinal compsns. containing same ɪά��ʵ���� 2004-12-22 CN disclosed
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 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
US-6605632-B1 Affinity for melatonin receptors LES LABORATOIRES SERVIER (FR) 2003-08-12 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
CN-1300277-A Novel substituted cyclic compounds, preparation method and pharmaceutical compositions containing them ADIR (FR) 2001-06-20 CN disclosed
EP-1077928-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
EP-1038863-A2 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof ADIR ET COMPAGNIE (FR) 2000-09-27 EP disclosed
WO-1999058496-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO disclosed
US-5616614-A USEFUL IN TREATMENT OF DISORDERS LINKED TO ABNORMAL MELATONIN ACTIVITY ADIR ET COMPAGNIE (FR) 1997-04-01 US disclosed
EP-0562956-B1 Naphtylalkylamines, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-09-27 EP disclosed
US-5420158-A Melatonin activity ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed
EP-0562956-A1 Naphtylalkylamines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-09-29 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 (3 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-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R MTNR1A 388/4885MTNR1B 325/4885NQO2 492/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885MTNR1B 340/4885NQO2 450/4885

“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.