SCHEMBL3407104

SCHEMBL3407104

CC(C#N)(c1ccccc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CHRM3 P20309 7/20 0.40
CHRM2 P08172 7/20 0.40
CHRM1 P11229 7/20 0.40
CYP2D6 P10635 5/20 0.40
KCNH2 Q12809 4/20 0.40
MEN1 O00255 1/20 0.38
CHRM4 P08173 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
HRH1 P35367 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL27561167 0.95 KEAP1 (0.40) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4470158 0.78 KEAP1 (0.44) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL12019802 0.77 CYP19A1 (0.34)
SCHEMBL28259607 0.77 KEAP1 (0.38) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL13785560 0.76 KEAP1 (0.46) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL198459 0.75 MAPT (0.52) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL12531908 0.75 MAPT (0.52) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL846064 0.75 KEAP1 (0.48) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL27432645 0.75 KEAP1 (0.48) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL27819590 0.75 CHRM2 (0.40) KEAP1NFE2L2CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252574-A1 PROCESSES FOR THE PREPARATION OF O-DESMETHYLVENLAFAXINE, FREE FROM ITS DIMER IMPURITIES Teva Pharmaceutical Industries Ltd. (IL) 2010-11-24 EP disclosed
WO-2009151494-A1 PROCESSES FOR THE PREPARATION OF O-DESMETHYLVENLAFAXINE, FREE FROM ITS DIMER IMPURITIES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-12-17 WO disclosed
US-7605290-B2 Processes for the synthesis of O-desmethylvenlafaxine TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-10-20 US disclosed
US-20090234020-A1 Processes for the preparation of odesmethylvenlafaxine, free from its dimer impurities TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2009-09-17 US disclosed
WO-2009073066-A1 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-06-11 WO disclosed
US-20090137846-A1 Processes for the synthesis of O-Desmethylvenlafaxine TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2009-05-28 US disclosed
EP-2046725-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE Teva Pharmaceutical Industries Ltd. (IL) 2009-04-15 EP disclosed
US-20090069601-A1 Processes for the synthesis of O-desmethylvenlafaxine TEVA PHARMACEUTICALS USA, INC. 2009-03-12 US disclosed
US-20090062572-A1 Processes for the synthesis of O-desmethylvenlafaxine TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-05 US disclosed
EP-2007708-A1 SUBSTANTIALLY PURE O-DESMETHYLVENLAFAXINE AND PROCESSES FOR PREPARING IT Teva Pharmaceutical Industries Ltd (IL) 2008-12-31 EP disclosed
EP-1934167-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE Teva Pharmaceutical Industries Ltd. (IL) 2008-06-25 EP disclosed
US-20080139849-A1 Processes for the synthesis of O-desmethylvenlafaxine TEVA PHARMACEUTICALS USA, INC. 2008-06-12 US disclosed
EP-1917237-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE Teva Pharmaceutical Industries Ltd (IL) 2008-05-07 EP disclosed
WO-2008013990-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 WO disclosed
WO-2008013993-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 WO disclosed
WO-2008013995-A2 TRIDESMETHYLVENLAFAXINE AND PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 WO disclosed
WO-2008013994-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 WO disclosed
US-20080015259-A1 Substantially pure O-desmethylvenlafaxine and processes for preparing it TEVA PHARMACEUTICALS USA, INC. 2008-01-17 US disclosed
WO-2007120923-A1 SUBSTANTIALLY PURE O-DESMETHYLVENLAFAXINE AND PROCESSES FOR PREPARING IT TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-10-25 WO disclosed
US-4136188-A TREATMENT OF DIABETES WITH 2-SUBSTITUTED-1,3-DIAZACYCLIC COMPOUNDS DAIICHI SEIYAKU CO., LTD. (JP) 1979-01-23 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-20090234020-A1 Processes for the preparation of odesmethylvenlafaxine, free from its dimer impurities CYP2D6, OGFR, DHFR KEAP1 4716/4885NFE2L2 3320/4885CHRM3 2106/4885
US-20090062572-A1 Processes for the synthesis of O-desmethylvenlafaxine CYP2D6, MAOB, CYP2C9 KEAP1 1601/4885NFE2L2 1852/4885CHRM3 1504/4885
US-20080139849-A1 Processes for the synthesis of O-desmethylvenlafaxine CYP2D6, CYP4F3, CYP3A5 KEAP1 1993/4885NFE2L2 2040/4885CHRM3 1928/4885
US-20090069601-A1 Processes for the synthesis of O-desmethylvenlafaxine CYP2D6, CYP4F3, CYP3A5 KEAP1 1993/4885NFE2L2 2040/4885CHRM3 1928/4885
US-20080015259-A1 Substantially pure O-desmethylvenlafaxine and processes for preparing it CYP2F1, COMT, CYP2D6 KEAP1 3266/4885NFE2L2 2925/4885CHRM3 1781/4885
US-20090137846-A1 Processes for the synthesis of O-Desmethylvenlafaxine CYP2D6, CYP4F3, CYP3A5 KEAP1 1993/4885NFE2L2 2040/4885CHRM3 1928/4885

“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.