Vortioxetine

Vortioxetine

SCHEMBL966801

Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR1AHTR3ASLC6A4

The experimentally established mechanism targets of Vortioxetine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 20/20 1.00
HTR3A known ✓ P46098 20/20 1.00
SLC6A4 known ✓ P31645 2/20 1.00
CYP1A2 P05177 6/20 1.00
CYP3A4 P08684 6/20 1.00
CYP2D6 P10635 6/20 1.00
CYP2C9 P11712 6/20 1.00
ADRB2 P07550 2/20 1.00
ADRB1 P08588 2/20 1.00
HRH2 P25021 2/20 1.00
HTR1B P28222 2/20 1.00
HTR2A P28223 2/20 1.00
HTR2C P28335 2/20 1.00
HTR7 P34969 2/20 1.00
HRH1 P35367 2/20 1.00
HTR5A P47898 2/20 1.00
HTR6 P50406 2/20 1.00
PTGS1 P23219 1/20 0.97
PTGS2 P35354 1/20 0.97

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
Vortioxetine SCHEMBL29402460 1.00 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Vortioxetine SCHEMBL29469584 0.99 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Vortioxetine SCHEMBL15623040 0.99 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Vortioxetine SCHEMBL236115 0.99 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Vortioxetine SCHEMBL19717678 0.97 HTR1A (0.97) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Vortioxetine SCHEMBL29393393 0.97 HTR1A (0.97) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Vortioxetine SCHEMBL18687167 0.97 HTR1A (0.97) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL29633102 0.97 HTR1A (0.97) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL28470746 0.97 HTR1A (0.97) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Vortioxetine SCHEMBL237653 0.97 HTR1A (0.97) HTR1AHTR3ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083359-A1 1-[2-(2,4-DIMETHYLPHENYLSULFANYL)-PHENYL]PIPERAZINE AS A COMPOUND With COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT LUNDBECK & CO AS H (DK) 2016-03-24 US claimed
US-20240101524-A1 A METHOD FOR PREPARATION OF 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL) PIPERAZINE AND ITS SALTS R L FINE CHEM PRIVATE LIMITED (IN) 2024-03-28 US disclosed
EP-4247802-A1 A METHOD FOR PREPARATION OF 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL) PIPERAZINE AND ITS SALTS R L Fine Chem Private Limited (IN) 2023-09-27 EP disclosed
US-20230021520-A1 1-[2-(2,4-DIMETHYLPHENYLSULFANYL)-PHENYL]PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT H. LUNDBECK A/S (DK) 2023-01-26 US disclosed
WO-2022254248-A1 A METHOD FOR PREPARATION OF 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL) PIPERAZINE AND ITS SALTS R L FINE CHEM PRIVATE LIMITED (IN) 2022-12-08 WO disclosed
US-11458134-B2 1-[2-(2,4-dimeihylphenylsulfanyl)-phenyl]piperazine as a compound with combined serotonin reuptake, 5-HT3 and 5-HT1A activity for the treatment of cognitive impairment H. LUNDBECK A/S (DK) 2022-10-04 US disclosed
US-20210087155-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF VORTIOXETINE AND SALTS THEREOF Piramal Enterprises Limited (IN) 2021-03-25 US disclosed
US-20210087155-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF VORTIOXETINE AND SALTS THEREOF Piramal Enterprises Limited (IN) 2021-03-25 US disclosed
EP-2044043-B2 1- Ý[- (2, 4-DIMETHYLPHENYLSULFANYL) -PHENYL]PIPERAZINE HYDROBROMIDE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT H LUNDBECK AS (DK) 2021-03-03 EP disclosed
EP-3762371-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF VORTIOXETINE AND SALTS THEREOF Piramal Enterprises Limited (IN) 2021-01-13 EP disclosed
US-8664225-B2 1-[2-(2,4-dimethylphenylsulfanyl)-phenyl] piperazine as a compound with combined serotonin reuptake, 5-HT3 and 5-HT1A activity for the treatment of pain or residual symptoms in depression relating to sleep and cognition H. LUNDBECK A/S (DK) 2014-03-04 US disclosed
EP-2439201-B1 COMPOUNDS WITH COMBINED SERT, 5-HT3 AND 5-HT1A ACTIVITY LUNDBECK & CO AS H (DK) 2013-08-07 EP disclosed
EP-2044043-B1 1- Ý[- (2, 4-DIMETHYLPHENYLSULFANYL) -PHENYL]PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT LUNDBECK & CO AS H (DK) 2012-01-11 EP disclosed
EP-2142193-B1 1-[2-(2,4-DIMETHYLPHENYLSULFANYL)PHENYL]PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF PAIN OR RESIDUAL SYMPTOMS IN DEPRESSION RELATING TO SLEEP AND COGNITION LUNDBECK & CO AS H (DK) 2011-01-19 EP disclosed
US-20110009422-A1 1- [2-(2,4-DIMETHYLPHENYLSULFANYL)-PHENYL] PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF PAIN OR RESIDUAL SYMPTOMS IN DEPRESSION RELATING TO SLEEP AND COGNITION H LUNDBECK A/S (DK) 2011-01-13 US disclosed
US-20100297240-A1 1- [2- (2,4-DIMETHYLPHENYLSULFANYL)-PHENYL] PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT H. LUNDBECK A/S (DK) 2010-11-25 US disclosed
EP-2142193-A2 1-[2-(2,4-DIMETHYLPHENYLSULFANYL)PHENYL]PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF PAIN OR RESIDUAL SYMPTOMS IN DEPRESSION RELATING TO SLEEP AND COGNITION H.Lundbeck A/S (DK) 2010-01-13 EP disclosed
EP-2044043-A1 1- Ý[- (2, 4-DIMETHYLPHENYLSULFANYL) -PHENYL]PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT H.Lundbeck A/S (DK) 2009-04-08 EP disclosed
WO-2008113359-A2 1- [2-(2,4-DIMETHYLPHENYLSULFANYL)-PHENYL] PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF PAIN OR RESIDUAL SYMPTOMS IN DEPRESSION RELATING TO SLEEP AND COGNITION H. LUNDBECK A/S (DK) 2008-09-25 WO disclosed
WO-2007144005-A1 1- [2- (2, 4-DIMETHYLPHENYLSULFANYL) -PHENYL] PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT H. LUNDBECK A/S (DK) 2007-12-21 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 (7 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-20100297240-A1 1- [2- (2,4-DIMETHYLPHENYLSULFANYL)-PHENYL] PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT HTR3A, HTR2C, HTR5A HTR1A 5/4885HTR3A 1/4885SLC6A4 20/4885
US-20240101524-A1 A METHOD FOR PREPARATION OF 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL) PIPERAZINE AND ITS SALTS TPMT, HTR2A, HTR2C HTR1A 25/4885HTR3A 84/4885SLC6A4 356/4885
US-11458134-B2 1-[2-(2,4-dimeihylphenylsulfanyl)-phenyl]piperazine as a compound with combined serotonin reuptake, 5-HT3 and 5-HT1A activity for the treatment of cognitive impairment HTR3A, HTR2C, HTR2A HTR1A 5/4885HTR3A 1/4885SLC6A4 20/4885
US-20110009422-A1 1- [2-(2,4-DIMETHYLPHENYLSULFANYL)-PHENYL] PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF PAIN OR RESIDUAL SYMPTOMS IN DEPRESSION RELATING TO SLEEP AND COGNITION HTR2C, HTR3A, HTR2A HTR1A 5/4885HTR3A 2/4885SLC6A4 21/4885
US-20160083359-A1 1-[2-(2,4-DIMETHYLPHENYLSULFANYL)-PHENYL]PIPERAZINE AS A COMPOUND With COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT HTR3A, HTR2C, HTR5A HTR1A 5/4885HTR3A 1/4885SLC6A4 20/4885
US-20210087155-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF VORTIOXETINE AND SALTS THEREOF HTR5A, CYP3A5, CYP4B1 HTR1A 17/4885HTR3A 28/4885SLC6A4 6/4885
US-20230021520-A1 1-[2-(2,4-DIMETHYLPHENYLSULFANYL)-PHENYL]PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT HTR3A, HTR2C, HTR5A HTR1A 5/4885HTR3A 1/4885SLC6A4 20/4885

“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.