SCHEMBL4407969

SCHEMBL4407969

COc1ccc(CC(N)C2(O)CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.51
SLC6A3 Q01959 5/20 0.51
SLC6A2 P23975 5/20 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 0.47
LDHA P00338 1/20 0.45
MMP1 P03956 1/20 0.42

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
SCHEMBL6234608 0.82 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL3920693 0.81 TAAR1 (0.47) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL3925426 0.80 SLC6A2 (0.47) SLC6A4SLC6A3SLC6A2
SCHEMBL4991324 0.79 SLC6A2 (0.56) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL1152681 0.79 EPHX1 (0.45) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL1661396 0.79 EPHX1 (0.45) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3718795 0.78 SLC6A2 (0.48) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL27955989 0.77 SLC6A2 (0.64) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL1661394 0.77 EPHX1 (0.47) SLC6A4SLC6A3SLC6A2LMNACYP2D6
SCHEMBL1153151 0.77 EPHX1 (0.47) SLC6A4SLC6A3SLC6A2LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8642662-B2 Methods of using derivatives of (−)-venlafaxine SUNOVION PHARMACEUTICALS INC. (US) 2014-02-04 US disclosed
US-20120302794-A1 Derivatives of venlafaxine and methods of preparing and using the same JERUSSI THOMAS P (US) 2012-11-29 US disclosed
US-8269040-B2 O-desmethylvenlafaxine succinate; tablet, capsule; sustained release; hydroxypropylmethyl cellulose rate controlling polymer; microcrystalline cellulose binder; depression, bipolar and manic disorders, attention deficit disorder, attention deficit disorder with hyperactivity, Parkinson's disease WYETH LLC (US) 2012-09-18 US disclosed
US-20120232157-A1 METHODS OF USING DERIVATIVES OF (-)-VENLAFAXINE JERUSSI THOMAS P (US) 2012-09-13 US disclosed
EP-2133325-A1 Derivatives of venlafaxine and methods of preparing and using the same Sepracor Inc. (US) 2009-12-16 EP disclosed
US-20080269166-A2 DERIVATIVES OF VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2008-10-30 US disclosed
EP-1953136-A1 Derivatives of (-)-venlafaxine and methods of preparing and using the same Sepracor, Inc. (US) 2008-08-06 EP disclosed
EP-1466889-A1 Derivatives of venlafaxine and methods of preparing and using the same Sepracor Inc. (US) 2004-10-13 EP disclosed
US-20040180952-A1 Derivatives of (-)- and (+)-venlafaxine and methods of preparing and using the same SEPRACOR INC. 2004-09-16 US disclosed
US-20040106576-A1 Derivatives of venlafaxine and methods of preparing and using the same SEPRACOR INC. (US) 2004-06-03 US disclosed
US-20030018083-A1 Methods of treating and preventing pain, anxiety, and incontinence using derivatives of (-)-venlafaxine SEPRACOR, INC. 2003-01-23 US disclosed
US-6441048-B1 A (-)VENLAFAXINE DERIVATIVE OR A SALT FREE OF ITS (+)STEREO-ISOMER AND A CARRIER OR EXCIPIENT; SIDE EFFECT REDUCTION; ANTIDEPRESSANTS; ATTENTION DEFICIT DISORDER; HYPERACTIVITY. OBESITY; INHIBITION OF NEURONAL MONOAMINE REUPTAKE SEPRACOR, INC. 2002-08-27 US disclosed
US-20020086904-A1 Methods of treating affective disorders using derivatives of (-)- venlafaxine SEPRACOR INC. 2002-07-04 US disclosed
US-6342533-B1 ANTIDEPRESSANTS UDES FOR BIPOLAR AND ATTENTION DEFICIT DISORDERS, HYPERACTIVITY, PARKINSON'S DISEASE, EPILEPSY, EATING DISORDERS SEPRACOR, INC. 2002-01-29 US disclosed
EP-1135358-A1 DERIVATIVES OF (+)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME Sepracor Inc. (US) 2001-09-26 EP disclosed
US-6197828-B1 NONTRICYCLIC ANTIDEPRESSANTS HAVE RECENTLY BEEN DEVELOPED THAT DIMINISH THE CARDIOVASCULAR AND ANTICHOLINERGIC LIABILITY, SEPRACOR, INC. 2001-03-06 US disclosed
WO-2000032555-A1 DERIVATIVES OF (+)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2000-06-08 WO 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 (9 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-20120232157-A1 METHODS OF USING DERIVATIVES OF (-)-VENLAFAXINE COMT, MAOA, MAOB SLC6A4 10/4885SLC6A3 5/4885SLC6A2 4/4885
US-20040180952-A1 Derivatives of (-)- and (+)-venlafaxine and methods of preparing and using the same COMT, MAOA, MAOB SLC6A4 14/4885SLC6A3 5/4885SLC6A2 4/4885
US-20030018083-A1 Methods of treating and preventing pain, anxiety, and incontinence using derivatives of (-)-venlafaxine COMT, MAOA, ACHE SLC6A4 13/4885SLC6A3 6/4885SLC6A2 4/4885
US-20120302794-A1 Derivatives of venlafaxine and methods of preparing and using the same COMT, MAOA, MAOB SLC6A4 13/4885SLC6A3 6/4885SLC6A2 4/4885
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-20020086904-A1 Methods of treating affective disorders using derivatives of (-)- venlafaxine COMT, MAOA, MAOB SLC6A4 11/4885SLC6A3 6/4885SLC6A2 4/4885
US-20140121283-A1 METHODS OF USING DERIVATIVES OF (-)-VENLAFAXINE COMT, MAOA, MAOB SLC6A4 10/4885SLC6A3 5/4885SLC6A2 4/4885
US-20080269166-A2 DERIVATIVES OF VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME COMT, MAOA, MAOB SLC6A4 13/4885SLC6A3 6/4885SLC6A2 4/4885
US-20040106576-A1 Derivatives of venlafaxine and methods of preparing and using the same COMT, MAOA, MAOB SLC6A4 13/4885SLC6A3 6/4885SLC6A2 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.