SCHEMBL4753009

SCHEMBL4753009

COc1ccc2cccc(CC(=O)Cl)c2c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.63
MTNR1B P49286 4/20 0.60
HTR2C P28335 1/20 0.60
HTR2B P41595 1/20 0.60
NQO2 P16083 1/20 0.57
HTR2A P28223 1/20 0.56

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
SCHEMBL14005959 0.90 MTNR1A (0.52) MTNR1AMTNR1BHTR2CHTR2BNQO2
Acetamide SCHEMBL15661095 0.89 MTNR1A (0.58) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL4749238 0.88 MTNR1A (0.75) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL31558766 0.88 MTNR1A (0.75) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL3914252 0.87 MTNR1A (0.64) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL30692247 0.87 MTNR1A (0.64) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL28723358 0.86 MTNR1A (0.76) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL4749622 0.85 MTNR1A (0.63) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL15509773 0.85 MTNR1A (0.64) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL8017007 0.83 MTNR1A (0.76) MTNR1AMTNR1BHTR2CHTR2BNQO2

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
US-9884844-B2 Heterocyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884844-B2 Heterocyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
WO-2016046833-A2 IMPROVED PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-03-31 WO disclosed
WO-2016046833-A2 IMPROVED PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-03-31 WO disclosed
US-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-11-26 US disclosed
US-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-11-26 US disclosed
EP-2909166-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES Symed Labs Limited (IN) 2015-08-26 EP disclosed
WO-2014106238-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FANG, QUN, KEVIN (US) 2014-07-03 WO disclosed
WO-2014096373-A1 PROCESS FOR PREPARARING N-(2-(7-METHOXY-1-NAPHTHALENYL)ETHYL) ACETAMIDE AND SOLID FORMS THEREOF LABORATORIOS LESVI, S. L. (ES) 2014-06-26 WO disclosed
WO-2014064706-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2014-05-01 WO 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
US-20080280991-A1 SUBSTITUTED NAPHTHALENES AUSPEX PHARMACEUTICALS, INC. (US) 2008-11-13 US 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
US-5318994-A Treating melatoninergic disorders ADIR ET COMPAGNIE (FR) 1994-06-07 US disclosed
US-5225442-A Melatoninergic disorders ADIR ET COMPAGNIE (FR) 1993-07-06 US disclosed
US-5194614-A COMPOUNDS HAVING A NAPHTHALENE STRUCTURE ADIR ET COMPAGNIE (FR) 1993-03-16 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 (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-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof GRIN2C, COMT, NLN MTNR1A 845/4885MTNR1B 513/4885HTR2C 16/4885
US-20080280991-A1 SUBSTITUTED NAPHTHALENES MTNR1A, MTNR1B, TPH1 MTNR1A 1/4885MTNR1B 2/4885HTR2C 8/4885

“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.