SCHEMBL3347205

SCHEMBL3347205

COc1ccc(C(N)CC2(O)CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.51
SLC6A3 Q01959 8/20 0.51
SLC6A2 P23975 7/20 0.51
LMNA P02545 1/20 0.51
CNR1 P21554 1/20 0.51
HTR2A P28223 1/20 0.51
HRH1 P35367 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 1/20 0.41
AOC3 Q16853 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
ESR2 Q92731 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 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
SCHEMBL8038690 1.00 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2LMNACNR1
Hydrochloric Acid SCHEMBL3930855 0.98 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2LMNACNR1
Acetic Acid SCHEMBL5795551 0.93 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL3709825 0.85 NQO1 (0.40) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL6328367 0.83 SLC6A2 (0.51) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL4618228 0.81 SLC6A2 (0.45) SLC6A4SLC6A3SLC6A2LMNACYP1A2
SCHEMBL4625904 0.80 MME (0.36) SLC6A4SLC6A3SLC6A2HTR2A
SCHEMBL4967524 0.79 SLC6A2 (0.56) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL8040630 0.79 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL8038699 0.79 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2LMNACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100520-A1 A PROCESS FOR PREPARATION OF PHENETHYLAMINE DERIVATIVE HIKAL LIMITED (IN) 2010-09-10 WO claimed
WO-2010046808-A2 A PROCESS FOR THE PREPARATION OF VENLAFAXINE HYDROCHLORIDE ALEMBIC LIMITED (IN) 2010-04-29 WO claimed
EP-2121574-A1 IMPROVED PROCESS FOR THE PREPARATION OF PHENETHYLAMINE DERIVATIVES Pharmathen S.A. (GR) 2009-11-25 EP claimed
EP-2061750-A2 IMPROVED PROCESS FOR SYNTHESIZING DESVENLAFAXINE FREE BASE AND SALTS OR SOLVATES THEREOF Medichem, S.A. (ES) 2009-05-27 EP claimed
EP-2043999-A2 A PROCESS FOR THE PREPARATION OF VENLAFAXINE HYDROCHLORIDE Aarti Healthcare Limited (IN) 2009-04-08 EP claimed
WO-2008083708-A1 IMPROVED PROCESS FOR THE PREPARATION OF PHENETHYLAMINE DERIVATIVES PHARMATHEN S.A. (GR) 2008-07-17 WO claimed
WO-2008015584-A2 IMPROVED PROCESS FOR SYNTHESIZING DESVENLAFAXINE FREE BASE AND SALTS OR SOLVATES THEREOF MEDICHEM, S.A. (US) 2008-02-07 WO claimed
EP-1824815-A2 PROCESS FOR THE PREPARATION OF HIGHLY PURE 1-[2-DIMETHYLAMINO-(4-METHOXYPHENYL) ETHYL]CYCLOHEXANOL HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-29 EP claimed
WO-2007069277-A2 A PROCESS FOR THE PREPARATION OF VENLAFAXINE HYDROCHLORIDE AARTI HEALTHCARE LIMITED (IN) 2007-06-21 WO claimed
WO-2007047972-A2 PROCESS FOR THE PREPARATION OF HIGHLY PURE 1-[2-DIMETHYLAMINO-(4-METHOXYPHENYL) ETHYL]CYCLOHEXANOL HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-04-26 WO claimed
WO-2006067808-A1 AN IMPROVED PROCESS FOR PRODUCTION OF INTERMEDIATE OF ANTIDEPRESSANT AGENT CALYX CHEMICALS & PHARMACEUTICALS PRIVATE LIMITED (IN) 2006-06-29 WO claimed
EP-1490325-A1 MANUFACTURE OF PHENYL ETHYLAMINE COMPOUNDS, IN PARTICULAR VENLAFAXINE Nicholas Piramal India Limited (IN) 2004-12-29 EP claimed
WO-2003080560-A1 MANUFACTURE OF PHENYL ETHYLAMINE COMPOUNDS, IN PARTICULAR VENLAFAXINE GLOBAL BULK DRUGS & FINE CHEMICALS PVT. LTD. (IN) 2003-10-02 WO claimed
US-20150299102-A1 DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SUNOVION PHARMACEUTICALS INC (US) 2015-10-22 US disclosed
US-9072700-B2 Methods of using derivatives of (−)-venlafaxine SUNOVION PHARMACEUTICALS INC. (US) 2015-07-07 US disclosed
US-20140121283-A1 METHODS OF USING DERIVATIVES OF (-)-VENLAFAXINE SUNOVION PHARMACEUTICALS INC. (US) 2014-05-01 US disclosed
WO-2000059851-A1 DERIVATIVES OF VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2000-10-12 WO disclosed
WO-2000032556-A1 DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2000-06-08 WO disclosed
WO-2000032555-A1 DERIVATIVES OF (+)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2000-06-08 WO disclosed
EP-0112669-A2 Phenethylamine derivatives and intermediates therefor AMERICAN HOME PRODUCTS CORPORATION (US) 1984-07-04 EP 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-20150299102-A1 DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME COMT, MAOA, MAOB SLC6A4 11/4885SLC6A3 5/4885SLC6A2 4/4885
US-20140121283-A1 METHODS OF USING DERIVATIVES OF (-)-VENLAFAXINE COMT, MAOA, MAOB SLC6A4 10/4885SLC6A3 5/4885SLC6A2 4/4885

“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.