Sugi Predict

Sugi Predict / Compounds / SCHEMBL6846082

SCHEMBL6846082

SCHEMBL6846082

COc1cc2c(cc1C)[C@@H](CN(C)CCCN1C=Cc3cc(CO)c(CO)cc3CC1=O)C2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCN4 Q9Y3Q4 7/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ BRD4 O60885 1/20 0.38
▸ MAPT P10636 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MDM2 Q00987 1/20 0.30

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
SCHEMBL6848710 0.95 HCN4 (0.57) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL10022907 0.91 HCN4 (0.58) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL15871675 0.91 HCN4 (0.55) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL15701365 0.91 HCN4 (0.55) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL12332636 0.89 HCN4 (0.55) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL16203194 0.87 HCN4 (0.60) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL15858419 0.87 HCN4 (0.64) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL30284992 0.87 HCN4 (0.64) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL31280 0.87 HCN4 (0.64) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL333491 0.87 HCN4 (0.64) HCN4CHRM2HTR1ASLC6A4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927708-B2 Process for the synthesis of 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one compounds, and application in the synthesis of ivabradine LES LABORATOIRES SERVIER (FR) 2015-01-06 — — US disclosed
US-20140296512-A1 PROCESS FOR THE SYNTHESIS OF 7,8-DIMETHOXY-1,3-DIHYDRO-2H-3-BENZAZEPIN-2-ONE COMPOUNDS, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE LES LABORATOIRES SERVIER (FR) 2014-10-02 — — US disclosed
US-8835627-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2014-09-16 — — US disclosed
US-20130261298-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2013-10-03 — — US disclosed
US-8476426-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2013-07-02 — — US 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
US-8278440-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-10-02 — — US disclosed
US-20120208996-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2012-08-16 — — US disclosed
US-20120172589-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2012-07-05 — — US 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
US-20110201805-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2011-08-18 — — 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 (6 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-20110201805-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid CYP4F2, CYP2F1, CYP2D6 HCN4 37/4885CHRM2 2611/4885HTR1A 1678/4885
US-20120208996-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 HCN4 37/4885CHRM2 2611/4885HTR1A 1678/4885
US-20140296512-A1 PROCESS FOR THE SYNTHESIS OF 7,8-DIMETHOXY-1,3-DIHYDRO-2H-3-BENZAZEPIN-2-ONE COMPOUNDS, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE KCNB1, KCNB2, KCNMB1 HCN4 95/4885CHRM2 2135/4885HTR1A 491/4885
US-20110294999-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 HCN4 37/4885CHRM2 2611/4885HTR1A 1678/4885
US-20130261298-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 HCN4 37/4885CHRM2 2611/4885HTR1A 1678/4885
US-20120172589-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 HCN4 37/4885CHRM2 2611/4885HTR1A 1678/4885

“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.