SCHEMBL3327733

SCHEMBL3327733

COc1ccc2cccc(CO)c2c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.63
MTNR1A P48039 14/20 0.62
MTNR1B P49286 2/20 0.59
HTR2C P28335 1/20 0.59
HTR2B P41595 1/20 0.59
NQO2 P16083 1/20 0.57

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
SCHEMBL1882845 0.87 HTR2A (0.68) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL6856603 0.86 MTNR1A (0.59) MTNR1AMTNR1BNQO2
SCHEMBL12013659 0.84 HTR2A (0.65) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL8012835 0.84 MTNR1A (0.71) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL6856426 0.83 MTNR1A (0.50) HTR2AMTNR1AMTNR1B
SCHEMBL3279789 0.83 HTR2A (0.63) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL12550704 0.83 HTR2A (0.63) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL28193568 0.83 HTR2A (0.63) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL1897589 0.83 HTR2A (0.63) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL16797976 0.82 HTR2A (0.55) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104230754-B A kind of synthetic method of (7-methoxy-1-naphthyl) acetonitrile ZHEJIANG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-01-04 CN disclosed
CN-104230754-A Synthetic method for 7-methoxy-1-naphthylacetonitrile UNIV ZHEJIANG SCIENCES 2014-12-24 CN disclosed
EP-2703383-A1 Process for the preparation of agomelatine Procos S.p.A. (IT) 2014-03-05 EP disclosed
EP-2176214-B1 NOVEL METHOD FOR THE SYNTHESIS OF (7-METHOXY-1-NAPHTHYL)ACETONITRILE AND APPLICATION IN THE SYNTHESIS OF AGOMELATINE SERVIER LAB (FR) 2014-03-05 EP disclosed
EP-2176214-B1 NOVEL METHOD FOR THE SYNTHESIS OF (7-METHOXY-1-NAPHTHYL)ACETONITRILE AND APPLICATION IN THE SYNTHESIS OF AGOMELATINE SERVIER LAB (FR) 2014-03-05 EP disclosed
CN-101772484-B Novel method for the synthesis of (7-methoxy-l-naphthyl)acetonitrile and application in the synthesis of agomelatine SERVIER LAB 2013-09-18 CN disclosed
US-8436206-B2 Process for the synthesis of (7-methoxy-1-naphthyl) acetonitrile and application in the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2013-05-07 US disclosed
US-8436206-B2 Process for the synthesis of (7-methoxy-1-naphthyl) acetonitrile and application in the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2013-05-07 US disclosed
US-20120330062-A1 PROCESS FOR THE SYNTHESIS OF (7-METHOXY-1-NAPHTHYL) ACETONITRILE AND APPLICATION IN THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2012-12-27 US disclosed
US-8252951-B2 Process for the synthesis of (methoxy-1-naphthyl) acetonitrile and application in the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2012-08-28 US disclosed
WO-2009053545-A2 NOVEL METHOD FOR THE SYNTHESIS OF (7-METHOXY-L-NAPHTHYL)ACETONITRILE AND APPLICATION IN THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2009-04-30 WO disclosed
WO-2009053545-A2 NOVEL METHOD FOR THE SYNTHESIS OF (7-METHOXY-L-NAPHTHYL)ACETONITRILE AND APPLICATION IN THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2009-04-30 WO disclosed
US-6583319-B1 Treating or preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-06-24 US disclosed
EP-0994102-B1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-19 EP disclosed
EP-0994102-A1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-04-19 EP disclosed
CN-1048720-C New o-arylmethyl-N-(thio)acylhydroxylamines, process for preparing them and pharmaceutical compositions containing them ADIR (FR) 2000-01-26 CN disclosed
EP-0709371-B1 O-arylmethyl N-(thio)acyl hydroxylamines as ligands for the melatonine receptors, their processes of preparation and the pharmaceutical compositions containing them ADIR (FR) 1998-05-06 EP disclosed
US-5612368-A SKIN DISORDERS, MELATONINERGIC SYSTEMS, ANTIARRHYTHMIA AGENTS OR ANTIISCHEMIC AGENTS ADIR ET COMPAGNIE (FR) 1997-03-18 US disclosed
CN-1127247-A New o-arylmethyl-N-(thio)acylhydroxylamines, process for preparing them and pharmaceutical compositions containing them ADIR (FR) 1996-07-24 CN disclosed
EP-0709371-A1 O-arylmethyl N-(thio)acyl hydroxylamines as ligands for the melatonine receptors, their processes of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 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-20120330062-A1 PROCESS FOR THE SYNTHESIS OF (7-METHOXY-1-NAPHTHYL) ACETONITRILE AND APPLICATION IN THE SYNTHESIS OF AGOMELATINE COMT, PNMT, TPH1 HTR2A 93/4885MTNR1A 62/4885MTNR1B 86/4885

“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.