SCHEMBL537592

SCHEMBL537592

COc1cc2c(cc1OC)CC(=O)N(CCC1OCCO1)C=C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.57
HCN4 Q9Y3Q4 6/20 0.46
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCL2 P13500 1/20 0.36
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A4 P31645 1/20 0.31
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
KCNN2 Q9H2S1 3/20 0.31
KCNN3 Q9UGI6 3/20 0.31
KCNN1 Q92952 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL15047162 0.93 BRD4 (0.55) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL20254176 0.81 BRD4 (0.68) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL15043263 0.81 BRD4 (0.33) BRD4
SCHEMBL15858417 0.81 BRD4 (0.63) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL10978343 0.80 BRD4 (0.66) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL22738847 0.80 BRD4 (0.66) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL10986173 0.80 BRD4 (0.58) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL18870119 0.79 BRD4 (0.64) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL15858418 0.79 BRD4 (0.64) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL10664582 0.78 BRD4 (0.63) BRD4HCN4GAASMN1; SMN2CCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566850-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE HYDROBROMIDE SALT RICHTER GEDEON NYRT (HU) 2018-04-11 EP disclosed
US-9506095-B2 Process for the enzymatic synthesis of (7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid or esters thereof, and application in the synthesis of ivabradine and salts thereof LES LABORATORIES SERVIER (FR) 2016-11-29 US disclosed
US-9476071-B2 Process for the enzymatic synthesis of (7S)-3,4-dimethoxybicyclo[4.2.0]OCTA-1,3,5-triene-7-carboxylic acid and application in the synthesis of ivabradine and salts thereof LES LABORATOIRES SERVIER (FR) 2016-10-25 US disclosed
EP-2772547-B1 Method for enzymatic synthesis of (7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid, and use for the synthesis of ivabradine and the salts thereof SERVIER LAB (FR) 2015-07-08 EP disclosed
EP-2687506-B1 Method for enzymatic synthesis of (7S)-1-(3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-yl) N-methyl methanamine, and use for the synthesis of Ivabradine and the salts thereof SERVIER LAB (FR) 2015-06-24 EP disclosed
US-9045788-B2 Process for the enzymatic synthesis of (7S)-1-(3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl) N-methyl methanamine, and application in the synthesis of ivabradine and salts thereof LES LABORATOIRES SERVIER (FR) 2015-06-02 US disclosed
EP-2626428-B1 Method for enzymatic synthesis of (7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid or the esters thereof, and use for the synthesis of ivabradine and the salts thereof SERVIER LAB (FR) 2015-05-27 EP disclosed
WO-2014131996-A1 METHOD FOR THE ENZYMATIC SYNTHESIS OF (7S) 3,4-DIMETHOXYBICYCLO[4.2.0]OCTA-1,3,5-TRIENE 7-CARBOXYLIC ACID AND USE THEREOF IN THE SYNTHESIS OF IVABRADINE AND SALTS THEREOF LES LABORATOIRES SERVIER (FR) 2014-09-04 WO disclosed
EP-2772547-A1 Method for enzymatic synthesis of (7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid, and use for the synthesis of ivabradine and the salts thereof Les Laboratoires Servier (FR) 2014-09-03 EP disclosed
US-20140242644-A1 PROCESS FOR THE ENZYMATIC SYNTHESIS OF (7S)-3,4-DIMETHOXYBICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7-CARBOXYLIC ACID AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND SALTS THEREOF LES LABORATOIRES SERVIER (FR) 2014-08-28 US disclosed
US-20070135411-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2007-06-14 US disclosed
EP-1589005-B1 Process for the synthesis of Ivabradine and its pharmaceutically acceptable acid addition salts SERVIER LAB (FR) 2007-03-28 EP disclosed
US-7176197-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2007-02-13 US disclosed
US-7064200-B2 Process for the synthesis of 1,3,4,5-tetrahydro-2H-3-benzazepin-2-one compounds, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2006-06-20 US disclosed
EP-1614687-A1 Process for the preparation of 1,3,4,5-tetrahydro-2H-3-benzazepin-2-one derivatives and their application in the synthesis of ivabradine and its pharmaceutically acceptable salts LES LABORATOIRES SERVIER (FR) 2006-01-11 EP disclosed
WO-2005111027-A1 NOVEL METHOD OF SYNTHESISING 1,3,4,5-TETRAHYDRO-2H-3-BENZAZEPIN-2-ONE DERIVATIVES AND USE THEREOF IN THE SYNTHESIS OF IVABRADINE AND THE SALTS THEREOF FOR ADDITION TO A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2005-11-24 WO disclosed
WO-2005110993-A1 NOVEL METHOD OF SYNTHESISING IVABRADINE AND THE SALTS THEREOF FOR ADDITION TO A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2005-11-24 WO disclosed
EP-1589005-A1 Process for the synthesis of Ivabradine and its pharmaceutically acceptable acid addition salts LES LABORATOIRES SERVIER (FR) 2005-10-26 EP disclosed
US-20050228177-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2005-10-13 US disclosed
US-20050228178-A1 Process for the synthesis of 1,3,4,5-tetrahydro-2H-3-benzazepin-2-one compounds. and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2005-10-13 US 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-20070135411-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid SCN5A, NISCH, CYP4F2 BRD4 4110/4885HCN4 9/4885GAA 642/4885
US-20050228177-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid SCN5A, NISCH, CYP4F2 BRD4 4013/4885HCN4 10/4885GAA 709/4885
US-20050228178-A1 Process for the synthesis of 1,3,4,5-tetrahydro-2H-3-benzazepin-2-one compounds. and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid BDKRB2, BDKRB1, HCN1 BRD4 1156/4885HCN4 22/4885GAA 1931/4885

“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.