SCHEMBL13057071

SCHEMBL13057071

Cc1ccc(Sc2ccccc2C)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.57
HTR3A P46098 12/20 0.57
SLC6A4 P31645 4/20 0.55
CYP1A2 P05177 2/20 0.55
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
HRH2 P25021 2/20 0.55
HTR1B P28222 2/20 0.55
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
HTR7 P34969 2/20 0.55
HRH1 P35367 2/20 0.55
HTR5A P47898 2/20 0.55
HTR6 P50406 2/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
AR P10275 1/20 0.49

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
SCHEMBL29475022 0.89 HAO1 (0.55) HTR1AHTR3ASLC6A4CYP1A2ADRB2
SCHEMBL76793 0.89 HAO1 (0.55) HTR1AHTR3ASLC6A4CYP1A2ADRB2
SCHEMBL9487702 0.87 MAPT (0.48) HTR1AHTR3ASLC6A4CYP1A2ADRB2
SCHEMBL16768825 0.87 HTR1A (0.45) HTR1AHTR3ASLC6A4CYP1A2ADRB2
SCHEMBL11225501 0.85 HTR1A (0.59) HTR1AHTR3ASLC6A4CYP1A2ADRB2
SCHEMBL10079070 0.84 HTR1A (0.51) HTR1AHTR3ASLC6A4CYP1A2ADRB2
SCHEMBL14723181 0.84 SLC6A4 (0.57) HTR1AHTR3ASLC6A4CYP1A2ADRB2
SCHEMBL16268913 0.84 HTR1A (0.51) HTR1AHTR3ASLC6A4CYP1A2ADRB2
SCHEMBL16269571 0.84 AR (0.51) HTR1AHTR3ASLC6A4CYP1A2ADRB2
SCHEMBL17156541 0.84 HTR1A (0.51) HTR1AHTR3ASLC6A4CYP1A2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030008-A1 PROCESS FOR THE PREPARATION OF VORTIOXETINE LUPIN LIMITED (IN) 2018-02-01 US disclosed
US-9861630-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 cognitive impairment H. LUNDBECK A/S (DK) 2018-01-09 US disclosed
US-20170360777-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) 2017-12-21 US disclosed
WO-2017162536-A1 VORTIOXETINE PRODRUGS H. LUNDBECK A/S (DK) 2017-09-28 WO disclosed
US-9493409-B2 Process for the synthesis of 1-(2-((2,4-dimethylphenyl)thio)phenyl)piperazine LEK PHARMACEUTICALS D.D. (SI) 2016-11-15 US disclosed
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 disclosed
US-20160060215-A1 New Process For The Synthesis Of 1-(2-((2,4-Dimethylphenyl)Thio)Phenyl)Piperazine LEK PHARMACEUTICALS D.D. (SI) 2016-03-03 US disclosed
US-9227946-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 cognitive impairment H. LUNDBECK A/S (DK) 2016-01-05 US disclosed
US-9227946-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 cognitive impairment H. LUNDBECK A/S (DK) 2016-01-05 US disclosed
US-9125908-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 cognitive impairment H. LUNDBECK A/S (DK) 2015-09-08 US disclosed
US-20150005318-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) 2015-01-01 US disclosed
US-20140377363-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) 2014-12-25 US disclosed
US-20140371453-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) 2014-12-18 US disclosed
US-20140315921-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) 2014-10-23 US disclosed
US-20140256943-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) 2014-09-11 US disclosed
US-20140248356-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) 2014-09-04 US disclosed
US-20140248355-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) 2014-09-04 US disclosed
US-20140248355-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) 2014-09-04 US disclosed
US-8722684-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 cognitive impairment H. LUNDBECK A/S (DK) 2014-05-13 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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-20140315921-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 HTR2C, HTR5A, HTR2A HTR1A 5/4885HTR3A 4/4885SLC6A4 16/4885
US-20170360777-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, HTR2A HTR1A 5/4885HTR3A 1/4885SLC6A4 20/4885
US-20140371453-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 HTR2C, HTR5A, HTR2A HTR1A 5/4885HTR3A 4/4885SLC6A4 18/4885
US-20140377363-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 HTR2C, HTR3A, HTR5A HTR1A 7/4885HTR3A 2/4885SLC6A4 17/4885
US-20140248356-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-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-20150005318-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 HTR2C, HTR3A, HTR2A HTR1A 6/4885HTR3A 2/4885SLC6A4 9/4885
US-20140248355-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-20180030008-A1 PROCESS FOR THE PREPARATION OF VORTIOXETINE SLC6A4, SLC6A2, PDE8B HTR1A 51/4885HTR3A 74/4885SLC6A4 1/4885
US-20160060215-A1 New Process For The Synthesis Of 1-(2-((2,4-Dimethylphenyl)Thio)Phenyl)Piperazine HTR5A, HTR2A, HTR2C HTR1A 4/4885HTR3A 9/4885SLC6A4 7/4885
US-20140256943-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.