Sugi Predict

Sugi Predict / Compounds / SCHEMBL333776

SCHEMBL333776

SCHEMBL333776

COc1cc(Br)c(CCC#N)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 10/20 0.46
▸ TAAR1 Q96RJ0 3/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 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
SCHEMBL3152528 0.88 TAAR1 (0.44) HTR2ATAAR1HTR2CSMN1; SMN2CASP1
SCHEMBL4980286 0.84 KMT2A (0.55) HTR2ASMN1; SMN2POLBKMT2ALMNA
SCHEMBL955354 0.81 HTR2A (0.44) HTR2ATAAR1HTR2CSMN1; SMN2POLB
SCHEMBL16481681 0.80 TAAR1 (0.44) HTR2ATAAR1SMN1; SMN2KMT2ACASP1
SCHEMBL15711991 0.79 CASP1 (0.40) HTR2ATAAR1KMT2ALMNACASP1
SCHEMBL3024252 0.78 HTR2A (0.42) HTR2ATAAR1HTR2CSMN1; SMN2
SCHEMBL27558957 0.77 ALDH1A1 (0.44) HTR2ATAAR1HTR2CPOLBKMT2A
SCHEMBL3469319 0.77 HMGCR (0.60) HTR2ATAAR1HTR2CSMN1; SMN2POLB
SCHEMBL27795529 0.77 HTR2A (0.52) HTR2ATAAR1HTR2CSMN1; SMN2POLB
SCHEMBL1458122 0.76 ALDH1A1 (0.42) HTR2ATAAR1HTR2C

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 79 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 claimed
CN-102464595-B Synthetic method of ivabradine midbody SHANGDONG NEW TIME PHARM PROD 2015-02-25 — — CN claimed
CN-103609565-A Solid active bromine bactericidal algicide WUJIN HUADONG CHEMISTRY CO LTD 2014-03-05 — — CN claimed
EP-2566850-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE SALTS Richter Gedeon Nyrt. (HU) 2013-03-13 — — EP claimed
CN-102464595-A Method for synthesizing ivabradine intermediate SHANGDONG NEW TIME PHARM PROD 2012-05-23 — — CN claimed
CN-101407474-B Preparation of 2-bromo-4,5-dimethoxy benzenepropanenitrile DONGHUA UNIVERSITY (CN) 2011-12-14 — — CN claimed
WO-2011138625-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE SALTS RICHTER GEDEON NYRT. (HU) 2011-11-10 — — WO claimed
CN-101407474-A Preparation of 2-bromo-4,5-dimethoxy benzenepropanenitrile UNIV DONGHUA (CN) 2009-04-15 — — CN claimed
EP-2566850-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE HYDROBROMIDE SALT RICHTER GEDEON NYRT (HU) 2018-04-11 — — EP disclosed
EP-2566850-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE HYDROBROMIDE SALT RICHTER GEDEON NYRT (HU) 2018-04-11 — — EP disclosed
EP-2803659-B1 Method for synthesising 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile and use for synthesising ivabradine and the added salts thereof with a pharmaceutically acceptable acid SERVIER LAB (FR) 2017-01-04 — — EP disclosed
CN-103848757-B Synthetic 3-(2-bromo-4,5-dimethoxy phenyl) method of propionitrile and the application in synthesis of ivabradine thereof LABORATOIRES THERWILL (FR) 2016-05-18 — — CN disclosed
CN-103848757-B Synthetic 3-(2-bromo-4,5-dimethoxy phenyl) method of propionitrile and the application in synthesis of ivabradine thereof LABORATOIRES THERWILL (FR) 2016-05-18 — — CN disclosed
CN-103724228-B The novel method of synthesis 3-(2-bromo-4,5-dimethoxy phenyl) propionitrile and the application in the additive salt of synthesis of ivabradine and itself and pharmaceutically acceptable acid LABORATOIRES THERWILL (FR) 2016-04-20 — — CN 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
CN-101412683-A 2-bromo-4,5-dimethoxy cinnamonitrile and preparation thereof UNIV DONGHUA (CN) 2009-04-22 — — CN disclosed
CN-101407474-A Preparation of 2-bromo-4,5-dimethoxy benzenepropanenitrile UNIV DONGHUA (CN) 2009-04-15 — — CN disclosed
CN-101407474-A Preparation of 2-bromo-4,5-dimethoxy benzenepropanenitrile UNIV DONGHUA (CN) 2009-04-15 — — CN 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-20100160628-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid CYP4F2, CYP2F1, CYP2D6 HTR2A 1651/4885TAAR1 2732/4885HTR2C 1801/4885

“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.