SCHEMBL1688124

SCHEMBL1688124

CC(=O)NCCc1cccc2ccc(C)cc12

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.77
MTNR1B P49286 16/20 0.77
NQO2 P16083 6/20 0.70
HTR2C P28335 1/20 0.70
HTR2B P41595 1/20 0.70

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
SCHEMBL8063729 0.89 MTNR1A (0.87) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL15677709 0.87 MTNR1A (0.58) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL7016328 0.87 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL30449793 0.86 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL4043404 0.86 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL4031838 0.84 MTNR1A (0.75) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL3955906 0.84 MTNR1A (0.75) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL5339739 0.84 MTNR1A (0.75) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL5351417 0.84 MTNR1A (0.75) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL27555567 0.84 MTNR1A (0.78) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533774-B1 USE OF AGOMELATINE FOR THE PREPARATION OF DRUGS FOR TREATING OBSESSIVE COMPULSIVE DISORDER (OCD) SERVIER LAB (FR) 2018-01-31 EP disclosed
US-9701608-B2 Process for the synthesis of 7-methoxy-naphthalene-1-carbaldehyde and application in the synthesis of agomelatine LES LABORATORIES SERVIER (FR) 2017-07-11 US disclosed
US-9663451-B2 Forms of co-crystals of agomelatine and p toluenesulphonic acid, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-05-30 US disclosed
US-9604911-B2 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2017-03-28 US disclosed
US-9527803-B2 Crystal form VII of agomelatine, preparation method and use thereof and pharmaceutical composition containing same LES LABORATOIRES SERVIER (FR) 2016-12-27 US disclosed
US-20160368859-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2016-12-22 US disclosed
US-20160304429-A1 PROCESS FOR THE SYNTHESIS OF 7-METHOXY-NAPHTHALENE-1-CARBALDEHYDE AND APPLICATION IN THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2016-10-20 US disclosed
US-20160168077-A1 FORMS OF CO-CRYSTALS OF AGOMELATINE AND p TOLUENESULPHONIC ACID, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-06-16 US disclosed
US-20150238614-A1 STABILISED AMORPHOUS FORM OF AGOMELATINE, A PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT LES LABORATOIRES SERVIER (FR) 2015-08-27 US disclosed
US-8853449-B2 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2014-10-07 US disclosed
US-20130289308-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2013-10-31 US disclosed
US-20130267738-A1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF LES LABORATORIES SERVIER (FR) 2013-10-10 US disclosed
US-8524949-B2 Agomelatine hydrohalide complex and preparation method thereof LES LABORATORIES SERVIER (FR) 2013-09-03 US disclosed
US-20130012592-A1 AGOMELATINE HYDROBROMIDE HYDRATE AND PREPARATION THEREOF LES LABORATOIRES SERVIER (FR) 2013-01-10 US disclosed
US-20130005820-A1 AGOMELATINE HYDROCHLORIDE HYDRATE AND PREPARATION THEREOF LES LABORATOIRES SERVIER (FR) 2013-01-03 US disclosed
US-20120245363-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2012-09-27 US disclosed
WO-2012046253-A2 PROCESS FOR THE PREPARATION OF N-[2- (7-METHOXY-L-NAPHTHYL) ETHYL] ACETAMIDE AND ITS NOVEL CRYSTALLINE FORMS MSN LABORATORIES LIMITED (IN) 2012-04-12 WO disclosed
US-20120004313-A1 CRYSTALLINE FORM VI OF AGOMELATINE, PREPARATION METHOD AND APPLICATION THEREOF LES LABORATOIRES SERVIER (FR) 2012-01-05 US disclosed
US-20110313198-A1 AGOMELATINE HYDROHALIDE COMPLEX AND PREPARATION METHOD THEREOF LES LABORATOIRES SERVIER (FR) 2011-12-22 US disclosed
CN-1135480-A Alkyl heterocyclic compound and preparation method thereof, and medicinal composition containing that kind of compound ADIR (FR) 1996-11-13 CN 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 (11 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 MTNR1A 232/4885MTNR1B 177/4885NQO2 1579/4885
US-20120004313-A1 CRYSTALLINE FORM VI OF AGOMELATINE, PREPARATION METHOD AND APPLICATION THEREOF SYMPK, RAB6A, MC3R MTNR1A 226/4885MTNR1B 102/4885NQO2 4322/4885
US-20130267738-A1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF COMT, AGO2, MC5R MTNR1A 9/4885MTNR1B 11/4885NQO2 3451/4885
US-20120245363-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE COMT, PNMT, TPH1 MTNR1A 331/4885MTNR1B 293/4885NQO2 1683/4885
US-20160304429-A1 PROCESS FOR THE SYNTHESIS OF 7-METHOXY-NAPHTHALENE-1-CARBALDEHYDE AND APPLICATION IN THE SYNTHESIS OF AGOMELATINE COMT, TPH1, TPH2 MTNR1A 50/4885MTNR1B 67/4885NQO2 947/4885
US-20150238614-A1 STABILISED AMORPHOUS FORM OF AGOMELATINE, A PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MC4R, ADCYAP1R1, MC3R MTNR1A 16/4885MTNR1B 19/4885NQO2 4679/4885
US-20110313198-A1 AGOMELATINE HYDROHALIDE COMPLEX AND PREPARATION METHOD THEREOF MC2R, MC4R, ADCYAP1R1 MTNR1A 43/4885MTNR1B 31/4885NQO2 1830/4885
US-20130289308-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE COMT, PNMT, TPH1 MTNR1A 331/4885MTNR1B 293/4885NQO2 1683/4885
US-20130005820-A1 AGOMELATINE HYDROCHLORIDE HYDRATE AND PREPARATION THEREOF ADCYAP1R1, MC2R, MC4R MTNR1A 23/4885MTNR1B 27/4885NQO2 2861/4885
US-20130012592-A1 AGOMELATINE HYDROBROMIDE HYDRATE AND PREPARATION THEREOF MC2R, MC5R, MC4R MTNR1A 23/4885MTNR1B 15/4885NQO2 1286/4885
US-20160168077-A1 FORMS OF CO-CRYSTALS OF AGOMELATINE AND p TOLUENESULPHONIC ACID, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MC5R, COMT, MC3R MTNR1A 17/4885MTNR1B 27/4885NQO2 4197/4885

“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.