SCHEMBL12480312

SCHEMBL12480312

COc1ccc2c(c1)C(CCN1C(=O)c3ccccc3C1=O)CCC2=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.52
RAB9A P51151 2/20 0.47
HTR1A P08908 4/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12480947 0.80 ACHE (0.48) ACHERAB9AHTR1ALMNAPOLB
SCHEMBL12479840 0.80 ACHE (0.50) ACHERAB9AHTR1APOLB
SCHEMBL10119653 0.75 RAB9A (0.47) ACHERAB9AHTR1ALMNAPOLB
SCHEMBL12479755 0.74 MTNR1A (0.73)
SCHEMBL12483925 0.73 KDM4E (0.42) LMNAGAA
SCHEMBL6787435 0.70 KDM4E (0.49) ACHELMNAALDH1A1GAA
SCHEMBL6301799 0.70 CYP19A1 (0.53) LMNAGAA
SCHEMBL5480835 0.70 CYP24A1 (0.46) LMNAGAA
SCHEMBL7554454 0.70 MEN1 (0.47) RAB9AHTR1ALMNAALDH1A1MEN1
SCHEMBL10467454 0.69 KDM4E (0.48) ACHELMNAALDH1A1GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661423-B1 NEW PROCESSS FOR THE SYNTHESIS OF AGOMELATINE SERVIER LAB (FR) 2015-03-11 EP claimed
US-8871975-B2 Process for the synthesis of agomelatine LES LABORATORIES SERVIER (FR) 2014-10-28 US claimed
US-20130289308-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2013-10-31 US claimed
EP-2661423-B1 NEW PROCESSS FOR THE SYNTHESIS OF AGOMELATINE SERVIER LAB (FR) 2015-03-11 EP disclosed
US-8871975-B2 Process for the synthesis of agomelatine LES LABORATORIES SERVIER (FR) 2014-10-28 US disclosed
EP-2661423-A1 NOVEL PROCESS FOR SYNTHESIZING AGOMELATINE Les Laboratoires Servier (FR) 2013-11-13 EP disclosed
US-20130289308-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2013-10-31 US disclosed
WO-2012093225-A1 NOVEL PROCESS FOR SYNTHESIZING AGOMELATINE LES LABORATOIRES SERVIER (FR) 2012-07-12 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 (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-20130289308-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE COMT, PNMT, TPH1 ACHE 2215/4885RAB9A 436/4885HTR1A 80/4885

“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.