SCHEMBL334046

SCHEMBL334046

CNCCCN1C=Cc2cc(OC)c(OC)cc2CC1=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.60
HCN4 Q9Y3Q4 7/20 0.48
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCL2 P13500 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL15858418 0.86 BRD4 (0.64) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL18870119 0.86 BRD4 (0.64) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL30285155 0.85 BRD4 (0.63) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL15858417 0.85 BRD4 (0.63) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL2820668 0.85 BRD4 (0.63) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL2450139 0.85 BRD4 (0.63) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL9029087 0.84 BRD4 (0.53) BRD4HCN4GAASMN1; SMN2MAPT
SCHEMBL10976351 0.84 BRD4 (0.61) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL9427558 0.83 BRD4 (0.52) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL20254176 0.83 BRD4 (0.68) 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 10 patents. 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-8415468-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2013-04-09 US disclosed
EP-2202225-B1 New method for synthesising ivabradine and its added salts with a pharmaceutically acceptable acid. SERVIER LAB (FR) 2012-10-24 EP disclosed
US-8097720-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid Les Laboratories Server (FR) 2012-01-17 US disclosed
EP-2393784-A1 NOVEL METHOD FOR THE SYNTHESIS OF IVABRADINE AND THE PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF Les Laboratoires Servier (FR) 2011-12-14 EP disclosed
US-20110294999-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2011-12-01 US disclosed
WO-2010089475-A1 NOVEL METHOD FOR THE SYNTHESIS OF IVABRADINE AND THE PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF LES LABORATOIRES SERVIER (FR) 2010-08-12 WO disclosed
WO-2010072930-A1 NOVEL METHOD FOR THE SYNTHESIS OF IVABRADINE LES LABORATOIRES SERVIER (FR) 2010-07-01 WO disclosed
EP-2202225-A1 New method for synthesising ivabradine and its added salts with a pharmaceutically acceptable acid. Les Laboratoires Servier (FR) 2010-06-30 EP disclosed
US-20100160628-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2010-06-24 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 (2 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-20110294999-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 BRD4 4035/4885HCN4 37/4885GAA 885/4885
US-20100160628-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid CYP4F2, CYP2F1, CYP2D6 BRD4 4035/4885HCN4 37/4885GAA 885/4885

“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.