SCHEMBL7017220

SCHEMBL7017220

COc1ccc2cccc(CCNC(=O)c3ccccc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 1.00
MTNR1B P49286 9/20 1.00
NQO2 P16083 3/20 1.00
TRPV1 Q8NER1 1/20 0.77
HTR2C P28335 1/20 0.74
HTR2B P41595 1/20 0.74

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
SCHEMBL9491217 0.90 MTNR1A (0.81) MTNR1AMTNR1BNQO2TRPV1HTR2C
SCHEMBL9493664 0.90 MTNR1A (0.81) MTNR1AMTNR1BNQO2TRPV1HTR2C
SCHEMBL9424922 0.87 MTNR1A (1.00) MTNR1AMTNR1BNQO2TRPV1HTR2C
SCHEMBL9490469 0.86 MTNR1A (0.75) MTNR1AMTNR1BNQO2TRPV1HTR2C
Agomelatine SCHEMBL27873171 0.85 MTNR1A (0.95) MTNR1AMTNR1BNQO2HTR2CHTR2B
Agomelatine SCHEMBL1158495 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2CHTR2B
Agomelatine SCHEMBL27844916 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2CHTR2B
Agomelatine SCHEMBL114476 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2CHTR2B
Agomelatine SCHEMBL29930659 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2CHTR2B
Agomelatine SCHEMBL1289469 0.84 MTNR1A (0.93) MTNR1AMTNR1BNQO2HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318994-A Treating melatoninergic disorders ADIR ET COMPAGNIE (FR) 1994-06-07 US claimed
EP-0447285-B1 NAPHTHALENE DERIVATIVES, PROCEDURE FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1993-05-12 EP claimed
EP-0447285-A1 Naphthalene derivatives, procedure for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-09-18 EP claimed
CN-1181050-C Novel substituted dimeric compounds, its preparing process and medicinal compsns. containing same ɪά��ʵ���� 2004-12-22 CN 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
US-5225442-A Melatoninergic disorders ADIR ET COMPAGNIE (FR) 1993-07-06 US disclosed
US-5194614-A COMPOUNDS HAVING A NAPHTHALENE STRUCTURE ADIR ET COMPAGNIE (FR) 1993-03-16 US 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 5/4885NQO2 391/4885

“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.