SCHEMBL15980993

SCHEMBL15980993

CCCCN1CCc2cc(OC)c(OC)cc2CC1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HCN4 Q9Y3Q4 2/20 0.61
MAPT P10636 2/20 0.61
SLC6A4 P31645 2/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
CHRM2 P08172 1/20 0.60
HTR1A P08908 1/20 0.60
DRD3 P35462 1/20 0.60
KCNH2 Q12809 1/20 0.60
ABCB1 P08183 1/20 0.53
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL14696925 0.93 GAA (0.68) GAASMN1; SMN2HCN4MAPTSLC6A4
SCHEMBL14685767 0.92 GAA (0.66) GAASMN1; SMN2HCN4MAPTSLC6A4
SCHEMBL15047160 0.88 HCN4 (0.58) GAASMN1; SMN2HCN4MAPTSLC6A4
SCHEMBL30081993 0.88 GAA (0.61) GAASMN1; SMN2HCN4MAPTSLC6A4
SCHEMBL14696959 0.88 GAA (0.61) GAASMN1; SMN2HCN4MAPTSLC6A4
SCHEMBL9032662 0.88 GAA (0.61) GAASMN1; SMN2HCN4MAPTSLC6A4
SCHEMBL10978574 0.86 HCN4 (0.56) GAASMN1; SMN2HCN4MAPTSLC6A4
SCHEMBL12319782 0.85 HCN4 (0.71) GAASMN1; SMN2HCN4MAPTSLC6A4
SCHEMBL333182 0.85 HCN4 (0.58) GAASMN1; SMN2HCN4MAPTSLC6A4
SCHEMBL22738846 0.84 GAA (0.64) GAASMN1; SMN2HCN4MAPTSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006424-B2 Process for the manufacture of ivabradine and of intermediates of synthesis thereof LABORATORIO CHIMICO INTERNAZIONALE S.P.A. (IT) 2015-04-14 US disclosed
US-20140357859-A1 PROCESS FOR THE MANUFACTURE OF IVABRADINE AND OF INTERMEDIATES OF SYNTHESIS THEREOF LOBORATORIO CHIMICO INTERNAZIONALE S.p.A. (IT) 2014-12-04 US 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

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-20140357859-A1 PROCESS FOR THE MANUFACTURE OF IVABRADINE AND OF INTERMEDIATES OF SYNTHESIS THEREOF CYP4F2, NISCH, CYP4F3 GAA 1519/4885SMN1; SMN2 3273/4885HCN4 33/4885

“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.