SCHEMBL121145

SCHEMBL121145

COc1ccc2cccc(CCN3C(=O)c4ccccc4C3=O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
RXFP1 Q9HBX9 1/20 0.63
MTNR1A P48039 11/20 0.60
MTNR1B P49286 4/20 0.60
NQO2 P16083 3/20 0.58
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTR2A P28223 3/20 0.55
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 1/20 0.51

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
SCHEMBL29421589 1.00 LMNA (0.63) LMNAALDH1A1HPGDNPSR1RXFP1
SCHEMBL16797980 0.84 MTNR1A (0.71) MTNR1AMTNR1BNQO2HTR2AHTR2C
SCHEMBL3242823 0.81 MAPT (0.57) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL14479196 0.81 GAA (0.46) LMNAALDH1A1HPGDNPSR1RXFP1
SCHEMBL8616007 0.80 MTNR1A (0.53) ALDH1A1MTNR1AMTNR1BNQO2HTR2A
SCHEMBL27366827 0.80 MTNR1B (0.56) LMNAALDH1A1HPGDNPSR1RXFP1
SCHEMBL31331827 0.80 MTNR1B (0.56) LMNAALDH1A1HPGDNPSR1RXFP1
SCHEMBL8229566 0.78 MAPT (0.87) LMNAALDH1A1HPGDNPSR1RXFP1
SCHEMBL6965415 0.77 NR1H2 (0.67) LMNAALDH1A1HPGDNPSR1RXFP1
SCHEMBL9282955 0.76 HTR1A (0.62) ALDH1A1HPGDMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653281-B2 Process for the manufacture of agomelatine and its intermediate NHWA PHARMA. CORPORATION (CN) 2014-02-18 US claimed
EP-2322508-B1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA PHARMA CORP (CN) 2013-01-02 EP claimed
US-20120245363-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2012-09-27 US claimed
EP-2151428-B1 Process for the preparation of agomelatin SERVIER LAB (FR) 2012-03-07 EP claimed
US-20110130571-A1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA PHARMA. CORPORATION (CN) 2011-06-02 US claimed
EP-2322508-A1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA Pharma. Corporation (CN) 2011-05-18 EP 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-215962353-U Filter equipment is used in synthesis of agomelatine 河南华商药业有限公司 2022-03-08 CN disclosed
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
US-8653281-B2 Process for the manufacture of agomelatine and its intermediate NHWA PHARMA. CORPORATION (CN) 2014-02-18 US disclosed
US-8653281-B2 Process for the manufacture of agomelatine and its intermediate NHWA PHARMA. CORPORATION (CN) 2014-02-18 US disclosed
EP-2322508-A1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA Pharma. Corporation (CN) 2011-05-18 EP disclosed
EP-2322508-A1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA Pharma. Corporation (CN) 2011-05-18 EP disclosed
CN-101638376-B Method for preparing agomelatine and intermediate of agomelatine JIANGSU NHUA PHARMACEUTICAL CO LTD 2011-04-27 CN disclosed
US-20100036162-A1 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2010-02-11 US disclosed
EP-2151428-A1 Process for the preparation of agomelatin Les Laboratoires Servier (FR) 2010-02-10 EP disclosed
WO-2010012208-A1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE 江苏恩华药业股份有限公司 (CN) 2010-02-04 WO disclosed
CN-101638376-A Method for preparing agomelatine and intermediate of agomelatine JIANGSU NHUA PHARMACEUTICAL CO 2010-02-03 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 (3 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-20110130571-A1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE PNMT, INMT, PTMA LMNA 2190/4885ALDH1A1 94/4885HPGD 3377/4885
US-20120245363-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE COMT, PNMT, TPH1 LMNA 3618/4885ALDH1A1 1161/4885HPGD 1187/4885
US-20100036162-A1 Process for the synthesis of agomelatine COMT, PNMT, TPH1 LMNA 3618/4885ALDH1A1 1161/4885HPGD 1187/4885

“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.