SCHEMBL9290663

SCHEMBL9290663

CCOC(=O)/C=C1\CCCc2ccc(OC)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.53
MTNR1A P48039 3/20 0.53
MTNR1B P49286 3/20 0.53
ABCB1 P08183 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
CYP19A1 P11511 4/20 0.41
CYP11B2 P19099 4/20 0.41
BRD4 O60885 1/20 0.40
MAOB P27338 1/20 0.40
RXRA P19793 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8514303 1.00 NQO2 (0.53) NQO2MTNR1AMTNR1BABCB1KDM4E
SCHEMBL8514302 1.00 NQO2 (0.53) NQO2MTNR1AMTNR1BABCB1KDM4E
SCHEMBL1470548 0.92 NQO2 (0.61) NQO2MTNR1AMTNR1BKDM4ECYP19A1
SCHEMBL1470545 0.92 NQO2 (0.61) NQO2MTNR1AMTNR1BKDM4ECYP19A1
SCHEMBL12749769 0.92 NQO2 (0.61) NQO2MTNR1AMTNR1BKDM4ECYP19A1
SCHEMBL3004692 0.90 CYP19A1 (0.51) NQO2MTNR1AMTNR1BKDM4EMAPT
SCHEMBL2432831 0.90 CYP19A1 (0.51) NQO2MTNR1AMTNR1BKDM4EMAPT
SCHEMBL12550714 0.86 RXRA (0.53) NQO2MTNR1AMTNR1BKDM4EMAPT
SCHEMBL3894416 0.83 NQO2 (0.49) NQO2MTNR1AMTNR1BABCB1KDM4E
SCHEMBL3894420 0.83 NQO2 (0.49) NQO2MTNR1AMTNR1BABCB1KDM4E

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 7 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
US-8779199-B2 Agomelatine intermediates and preparation method thereof LES LABORATOIRES SERVIER (FR) 2014-07-15 US 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-20130267738-A1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF LES LABORATORIES SERVIER (FR) 2013-10-10 US disclosed
WO-2012070025-A1 PROCESS FOR THE PREPARATION OF AGOMELATINE CADILA PHARMACEUTICALS LTD (IN) 2012-05-31 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-20130267738-A1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF COMT, AGO2, MC5R NQO2 3451/4885MTNR1A 9/4885MTNR1B 11/4885

“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.