SCHEMBL988682

SCHEMBL988682

COc1ccc2c(c1)C(O)(CC#N)CCC2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP3A4 P08684 1/20 0.44
KDM1A O60341 1/20 0.42
POLA1 P09884 4/20 0.41
NPY5R Q15761 1/20 0.39

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
SCHEMBL30869923 1.00 SIGMAR1 (0.44) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL6567499 0.82 KDM1A (0.48) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL15305563 0.82 SIGMAR1 (0.34) SIGMAR1KDM1ANPY5R
SCHEMBL7951399 0.78 CYP3A4 (0.44) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL9868507 0.78 CYP2C9 (0.42) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL21559876 0.76 DRD2 (0.37) KDM1A
SCHEMBL29587519 0.75 POLA1 (0.51) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL4984411 0.75 POLA1 (0.51) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL27806303 0.75 SIGMAR1 (0.38) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL4911889 0.74 OPRM1 (0.42) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012046253-A2 PROCESS FOR THE PREPARATION OF N-[2- (7-METHOXY-L-NAPHTHYL) ETHYL] ACETAMIDE AND ITS NOVEL CRYSTALLINE FORMS MSN LABORATORIES LIMITED (IN) 2012-04-12 WO 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
EP-2580189-B1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF SERVIER LAB (FR) 2017-10-25 EP disclosed
WO-2016046833-A2 IMPROVED PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-03-31 WO disclosed
EP-2909166-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES Symed Labs Limited (IN) 2015-08-26 EP disclosed
WO-2015000555-A2 A NOVEL PROCESS FOR THE PREPARATION OF TETRALIN AND NAPHTHALENE DERIVATIVES PHARMATHEN S.A. (GR) 2015-01-08 WO disclosed
US-8779199-B2 Agomelatine intermediates and preparation method thereof LES LABORATOIRES SERVIER (FR) 2014-07-15 US 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-20130267738-A1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF LES LABORATORIES SERVIER (FR) 2013-10-10 US disclosed
US-20130267738-A1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF LES LABORATORIES SERVIER (FR) 2013-10-10 US disclosed
EP-2580189-A1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF Les Laboratoires Servier (FR) 2013-04-17 EP disclosed
WO-2012046253-A2 PROCESS FOR THE PREPARATION OF N-[2- (7-METHOXY-L-NAPHTHYL) ETHYL] ACETAMIDE AND ITS NOVEL CRYSTALLINE FORMS MSN LABORATORIES LIMITED (IN) 2012-04-12 WO disclosed
WO-2011153939-A1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF LES LABORATOIRES SERVIER (FR) 2011-12-15 WO disclosed
WO-2011006387-A1 PROCESS FOR PREPARING AGOMELATINE, CRYSTALS OF AGOMELATINE AND PREPARING PROCESS THEREOF 浙江华海药业股份有限公司 (CN) 2011-01-20 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 SIGMAR1 2750/4885CYP2C9 90/4885TSHR 1658/4885

“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.