SCHEMBL4752950

SCHEMBL4752950

CCOC(=O)Cc1cccc2ccc(OC)cc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
MTNR1B P49286 2/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
NQO2 P16083 1/20 0.54

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
SCHEMBL14005910 0.91 MTNR1A (0.49) MTNR1AL3MBTL1TDP1KDM4EALDH1A1
SCHEMBL9482196 0.89 L3MBTL1 (0.58) MTNR1AL3MBTL1TDP1KDM4EALDH1A1
SCHEMBL15509773 0.87 MTNR1A (0.64) MTNR1AL3MBTL1TDP1MTNR1BHTR2C
SCHEMBL15747753 0.86 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL15307895 0.85 MTNR1A (0.64) MTNR1AL3MBTL1TDP1MTNR1BHTR2C
SCHEMBL15305557 0.85 L3MBTL1 (0.50) L3MBTL1TDP1KDM4EALDH1A1GLA
SCHEMBL15747703 0.84 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL15747695 0.83 KDM4E (0.55) MTNR1AL3MBTL1TDP1KDM4EALDH1A1
SCHEMBL3914252 0.83 MTNR1A (0.64) MTNR1ATDP1MTNR1BHTR2CHTR2B
SCHEMBL30692247 0.83 MTNR1A (0.64) MTNR1ATDP1MTNR1BHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2703383-A1 Process for the preparation of agomelatine Procos S.p.A. (IT) 2014-03-05 EP claimed
WO-2012070025-A1 PROCESS FOR THE PREPARATION OF AGOMELATINE CADILA PHARMACEUTICALS LTD (IN) 2012-05-31 WO claimed
CN-117776934-A Preparation method of agomelatine intermediate 江苏威奇达药业有限公司 2024-03-29 CN disclosed
CN-117720424-A Continuous flow preparation method of agomelatine intermediate 江苏威奇达药业有限公司 2024-03-19 CN disclosed
CN-113527139-A Method for synthesizing 7-methoxy-1-naphthylacetonitrile and intermediate 上海法默生物科技有限公司 2021-10-22 CN disclosed
CN-107353229-B A kind of preparation method of agomelatine intermediate body 许昌恒生制药有限公司 2019-04-30 CN disclosed
CN-108373422-A A kind of preparation method of agomelatine 无锡富泽药业有限公司 2018-08-07 CN disclosed
CN-107353229-A A kind of preparation method of agomelatine intermediate body 许昌恒生制药有限公司 2017-11-17 CN disclosed
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
WO-2016046833-A2 IMPROVED PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-03-31 WO disclosed
CN-102993040-B A kind of novel method of synthesizing Agomelatine CHINA PHARMACEUTICAL UNIVERSITY (CN) 2015-09-30 CN disclosed
US-20080280991-A1 SUBSTITUTED NAPHTHALENES AUSPEX PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
US-20080280991-A1 SUBSTITUTED NAPHTHALENES AUSPEX PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2007146136-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-12-21 WO 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
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
US-5449690-A Antihypercholesterol anf melatonin antagonist ADIR ET COMPAGNIE (FR) 1995-09-12 US disclosed
US-5449689-A Treating melatoninergic system disorders ADIR ET COMPAGNIE (FR) 1995-09-12 US disclosed
US-5389683-A Useful in treating or preventing a disorder of the melatoninergic system ADIR ET COMPAGNIE (FR) 1995-02-14 US disclosed
US-5385944-A Naphthylethylureas and naphthylethylthioureas ADIR ET COMPAGNIE (FR) 1995-01-31 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-20080280991-A1 SUBSTITUTED NAPHTHALENES MTNR1A, MTNR1B, TPH1 MTNR1A 1/4885L3MBTL1 4882/4885TDP1 4450/4885

“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.