SCHEMBL14723181

SCHEMBL14723181

Cc1ccc(Sc2ccccc2N)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.57
SLC6A3 Q01959 8/20 0.57
SLC6A2 P23975 8/20 0.57
TDP1 Q9NUW8 1/20 0.53
HTR1A P08908 6/20 0.51
HTR3A P46098 6/20 0.51
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 3/20 0.50
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
CYP2D6 P10635 2/20 0.50
HRH2 P25021 2/20 0.50
HTR1B P28222 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR7 P34969 2/20 0.50
HRH1 P35367 2/20 0.50
HTR5A P47898 2/20 0.50
HTR6 P50406 2/20 0.50

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
SCHEMBL30338359 1.00 SLC6A4 (0.57) SLC6A4SLC6A3SLC6A2TDP1HTR1A
SCHEMBL29773377 1.00 SLC6A4 (0.57) SLC6A4SLC6A3SLC6A2TDP1HTR1A
Hydrochloric Acid SCHEMBL30695614 0.98 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2TDP1HTR1A
Hydrochloric Acid SCHEMBL16151212 0.98 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2TDP1HTR1A
SCHEMBL13057071 0.84 HTR1A (0.57) SLC6A4SLC6A3SLC6A2TDP1HTR1A
SCHEMBL17777985 0.82 TDP1 (0.49) SLC6A4SLC6A3SLC6A2TDP1HTR1A
SCHEMBL3859717 0.82 CYP3A4 (0.52) SLC6A4SLC6A3SLC6A2TDP1HTR1A
SCHEMBL76793 0.82 HAO1 (0.55) SLC6A4TDP1HTR1AHTR3ACYP1A2
SCHEMBL29475022 0.82 HAO1 (0.55) SLC6A4TDP1HTR1AHTR3ACYP1A2
SCHEMBL18600516 0.81 NPC1 (0.42) SLC6A4SLC6A3SLC6A2TDP1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
US-20180237386-A1 Process For Preparation Of Vortioxetine Hydrobromide AMNEAL PHARMACEUTICALS COMPANY GMBH (CH) 2018-08-23 US claimed
EP-3337789-A1 PROCESS FOR PREPARATION OF VORTIOXETINE HYDROBROMIDE Amneal Pharmaceuticals Company GmbH (CH) 2018-06-27 EP claimed
US-9920021-B2 Method of preparing vortioxetine ZENTIVA K.S. (CZ) 2018-03-20 US claimed
US-20170204074-A1 METHOD OF PREPARING VORTIOXETINE ZENTIVA K.S. (CZ) 2017-07-20 US claimed
CN-104829557-B A kind of noval chemical compound 1 [2(2,4 3,5-dimethylphenyl sulfenyls)Phenyl] 2 oxygen piperazines and preparation method thereof and the application in Vortioxetine synthesis 山东百诺医药股份有限公司 2017-06-27 CN claimed
EP-3166926-A1 METHOD OF PREPARING VORTIOXETINE Zentiva K.S. (CZ) 2017-05-17 EP claimed
WO-2017029377-A1 PROCESS FOR PREPARATION OF VORTIOXETINE HYDROBROMIDE AMNEAL PHARMACEUTICALS COMPANY GMBH (CH) 2017-02-23 WO claimed
WO-2016079751-A2 A PROCESS FOR PREPARATION OF VORTIOXETINE AND POLYMORPHS THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2016-05-26 WO claimed
WO-2016004908-A1 METHOD OF PREPARING VORTIOXETINE ZENTIVA, K.S. (CZ) 2016-01-14 WO 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-3810582-B1 A ONE-POT ORGANO-PSEUDOCATALYTIC C-H ACTIVATION APPROACH FOR THE PREPARATION OF VORTIOXETINE AND VORTIOXETINE INTERMEDIATE VIO AG PHARMACEUTICALS S A (GR) 2024-01-03 EP 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
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
WO-2015114395-A1 PROCESS FOR THE PREPARATION OF VORTIOXETINE SALTS EGIS GYÓGYSZERGYÁR ZRT. (HU) 2015-08-06 WO disclosed
WO-2014161976-A1 NEW PROCESS FOR THE SYNTHESIS OF 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)PIPERAZINE LEK PHARMACEUTICALS D.D. (SI) 2014-10-09 WO disclosed
WO-2013026455-A1 PERMANENTLY POSITIVELY CHARGED ANTIDEPRESSANTS AARHUS UNIVERSITET (DK) 2013-02-28 WO disclosed
WO-2013026455-A1 PERMANENTLY POSITIVELY CHARGED ANTIDEPRESSANTS AARHUS UNIVERSITET (DK) 2013-02-28 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 (3 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-20180237386-A1 Process For Preparation Of Vortioxetine Hydrobromide SLC6A4, SLC6A3, SLC6A2 SLC6A4 1/4885SLC6A3 2/4885SLC6A2 3/4885
US-20240101524-A1 A METHOD FOR PREPARATION OF 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL) PIPERAZINE AND ITS SALTS TPMT, HTR2A, HTR2C SLC6A4 356/4885SLC6A3 629/4885SLC6A2 328/4885
US-20170204074-A1 METHOD OF PREPARING VORTIOXETINE HTR5A, HTR1A, TPH1 SLC6A4 40/4885SLC6A3 75/4885SLC6A2 37/4885

“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.