SCHEMBL12480947

SCHEMBL12480947

COc1ccc2c(c1)C(CCN1C(=O)c3ccccc3C1=O)CC=C2Br

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 4/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL12479840 0.87 ACHE (0.50) ACHERAB9AHTR1APOLB
SCHEMBL12480312 0.80 ACHE (0.52) ACHERAB9ALMNAMEN1KMT2A
SCHEMBL10119653 0.73 RAB9A (0.47) ACHERAB9ALMNAMEN1KMT2A
SCHEMBL15356004 0.67 CHRM2 (0.38) ACHERAB9ALMNAMEN1KMT2A
SCHEMBL28986032 0.65 RAB9A (0.74) RAB9ALMNAMEN1KMT2AMAPT
SCHEMBL30317446 0.65 RAB9A (0.74) RAB9ALMNAMEN1KMT2AMAPT
SCHEMBL6949731 0.65 PARK7 (0.70) ACHERAB9ALMNAMEN1KMT2A
SCHEMBL15358897 0.65 MPO (0.38) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL6965415 0.64 NR1H2 (0.67) RAB9ALMNAMEN1KMT2AMAPT
SCHEMBL30758623 0.64 RAB9A (0.68) RAB9AALDH1A1GAA

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
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-2661433-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) Novartis AG (CH) 2013-11-13 EP 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-2012093101-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2012-07-12 WO 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 436/4885LMNA 3618/4885

“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.