SCHEMBL829359

SCHEMBL829359

COc1ccc2cccc(C(=O)C(N)=O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.65
CNR2 P34972 2/20 0.48
MTNR1B P49286 3/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
NQO2 P16083 1/20 0.46
PARP1 P09874 1/20 0.46
PLAU P00749 1/20 0.46

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
SCHEMBL29140999 0.88 MTNR1A (0.68) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL830122 0.86 MTNR1A (0.67) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL8534816 0.85 MTNR1A (0.69) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL31392475 0.83 MTNR1A (0.70) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL10856546 0.83 MTNR1A (0.70) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL3327762 0.83 MTNR1A (0.70) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL8610416 0.80 MTNR1A (0.59) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL8610419 0.79 MTNR1A (0.58) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL4108535 0.79 MTNR1A (0.65) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL31613073 0.79 MTNR1A (1.00) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016046833-A2 IMPROVED PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-03-31 WO disclosed
WO-2014064706-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2014-05-01 WO disclosed
EP-2703383-A1 Process for the preparation of agomelatine Procos S.p.A. (IT) 2014-03-05 EP disclosed
CN-101643431-B New process for synthesizing agomelatine SERVIER LAB 2013-05-15 CN disclosed
US-8143449-B2 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2012-03-27 US disclosed
EP-2151429-B1 Process for the preparation of agomelatin SERVIER LAB (FR) 2011-05-25 EP disclosed
WO-2010015746-A1 NOVEL METHOD FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2010-02-11 WO disclosed
US-20100036163-A1 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2010-02-11 US disclosed
EP-2151429-A1 Process for the preparation of agomelatin Les Laboratoires Servier (FR) 2010-02-10 EP disclosed
EP-2151429-A1 Process for the preparation of agomelatin Les Laboratoires Servier (FR) 2010-02-10 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-20100036163-A1 Process for the synthesis of agomelatine COMT, PNMT, TPH1 MTNR1A 331/4885CNR2 1335/4885MTNR1B 293/4885

“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.