SCHEMBL1880150

SCHEMBL1880150

COc1ccc2cccc(CCOS(C)(=O)=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.60
MTNR1A P48039 14/20 0.60
MTNR1B P49286 4/20 0.57
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
NQO2 P16083 1/20 0.55

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
SCHEMBL8575276 0.92 MTNR1A (0.63) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL1903920 0.84 MTNR1A (0.58) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL16232221 0.82 MTNR1A (0.56) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL12405342 0.82 NQO2 (0.58) MTNR1ANQO2
SCHEMBL14724998 0.81 HTR2A (0.60) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL27950864 0.80 MTNR1A (0.67) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL827963 0.79 HTR2A (0.70) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL124258 0.79 MTNR1A (0.65) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL12013659 0.79 HTR2A (0.65) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL14861608 0.79 MTNR1A (0.52) HTR2AMTNR1AMTNR1BHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604911-B2 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2017-03-28 US disclosed
US-20160368859-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2016-12-22 US disclosed
EP-2703383-A1 Process for the preparation of agomelatine Procos S.p.A. (IT) 2014-03-05 EP disclosed
EP-2703383-A1 Process for the preparation of agomelatine Procos S.p.A. (IT) 2014-03-05 EP disclosed
US-8653281-B2 Process for the manufacture of agomelatine and its intermediate NHWA PHARMA. CORPORATION (CN) 2014-02-18 US disclosed
EP-2322508-B1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA PHARMA CORP (CN) 2013-01-02 EP disclosed
US-7947852-B2 Naphthalene compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-05-24 US disclosed
US-20100168244-A1 NAPHTHALENE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LESS LABORATOIRES SERVIER (FR) 2010-07-01 US disclosed
US-20100137446-A1 NAPHTHALENE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2010-06-03 US disclosed
EP-2167460-A2 NOVEL NAPHTHALENE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2010-03-31 EP disclosed
EP-2167457-A2 NOVEL NAPHTHALENE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2010-03-31 EP disclosed
WO-2009022063-A2 NOVEL NAPHTHALENE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-02-19 WO disclosed
WO-2009022064-A2 NOVEL NAPHTHALENE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-02-19 WO disclosed
WO-2009022066-A2 NOVEL NAPHTHALENE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-02-19 WO disclosed
US-5760071-A AN UREA OR THIOUREA COMPOUNDS FOR TREATING MELATONINERGIC SYSTEM DISORDER, SLEEP DISORDER ADIR ET COMPAGNIE (FR) 1998-06-02 US disclosed
US-5731352-A THERAPY FOR DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-03-24 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 (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-20160368859-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE COMT, PNMT, TPH1 HTR2A 45/4885MTNR1A 232/4885MTNR1B 177/4885
US-20100137446-A1 NAPHTHALENE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MTNR1A, MTNR1B, AHR HTR2A 26/4885MTNR1A 1/4885MTNR1B 2/4885
US-20100168244-A1 NAPHTHALENE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MTNR1A, MTNR1B, CYP11B2 HTR2A 16/4885MTNR1A 1/4885MTNR1B 2/4885

“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.