SCHEMBL7104353

SCHEMBL7104353

COc1ccc2c(c1)C(CCNC(C)=O)CCC2

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.86
MTNR1B P49286 15/20 0.86
NQO2 P16083 14/20 0.86
TRPV1 Q8NER1 1/20 0.68

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
SCHEMBL7950130 1.00 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7952490 0.93 MTNR1A (0.75) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL4685396 0.93 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7950293 0.93 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL4685402 0.93 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7956065 0.92 MTNR1A (0.73) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8889850 0.89 MTNR1A (0.72) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7017326 0.88 MTNR1A (0.75) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7952293 0.88 MTNR1A (0.74) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8887234 0.88 MTNR1A (0.87) MTNR1AMTNR1BNQO2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661186-A MELATONERGIC EFFECT; CENTRAL NERVOUS SYSTEM DISODERS BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US claimed
EP-0728738-A1 Tetralinyl- and indanyl-ethylamides having melatonergic activity BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 EP claimed
EP-3077354-B1 NOVEL METHOD FOR THE SYNTHESIS OF AGOMELATINE SERVIER LAB (FR) 2017-11-29 EP disclosed
CN-104016874-A N-[2-(7-methoxy-1,2,3,4-tetrahydro-1-naphthyl)-ethyl]-acetamide as well as preparation method and application thereof HEFEIYANG TECHNOLOGY DEV TIANJIN CO LTD 2014-09-03 CN disclosed
CN-104016874-A N-[2-(7-methoxy-1,2,3,4-tetrahydro-1-naphthyl)-ethyl]-acetamide as well as preparation method and application thereof HEFEIYANG TECHNOLOGY DEV TIANJIN CO LTD 2014-09-03 CN disclosed
EP-2580183-B1 NEW PROCESS FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)-ETHYL]ACETAMIDE GADOR SA (AR) 2014-07-23 EP disclosed
EP-2580183-B1 NEW PROCESS FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)-ETHYL]ACETAMIDE GADOR SA (AR) 2014-07-23 EP disclosed
US-8779199-B2 Agomelatine intermediates and preparation method thereof LES LABORATOIRES SERVIER (FR) 2014-07-15 US disclosed
US-20130267738-A1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF LES LABORATORIES SERVIER (FR) 2013-10-10 US disclosed
EP-2580183-A2 NEW PROCESS FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)-ETHYL]ACETAMIDE AND NEW CRYSTALLINE FORM GADOR S.A. (AR) 2013-04-17 EP disclosed
WO-2011154140-A2 NEW PROCESS FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)-ETHYL]ACETAMIDE AND NEW CRYSTALLINE FORM GADOR S.A. (AR) 2011-12-15 WO 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
US-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 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
EP-0781271-B1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-06-07 EP disclosed
US-5661186-A MELATONERGIC EFFECT; CENTRAL NERVOUS SYSTEM DISODERS BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
EP-0781271-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP disclosed
EP-0728738-A1 Tetralinyl- and indanyl-ethylamides having melatonergic activity BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 EP disclosed
WO-1996008466-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 WO 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 (2 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-20130267738-A1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF COMT, AGO2, MC5R MTNR1A 9/4885MTNR1B 11/4885NQO2 3451/4885
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.