SCHEMBL547667

SCHEMBL547667

Cc1cc(C)cc(Sc2ccccc2N2CCNCC2)c1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.82
HTR3A P46098 20/20 0.82
CYP1A2 P05177 10/20 0.78
CYP3A4 P08684 10/20 0.78
CYP2D6 P10635 10/20 0.78
CYP2C9 P11712 10/20 0.78
ADRB2 P07550 2/20 0.68
ADRB1 P08588 2/20 0.68
HRH2 P25021 2/20 0.68
HTR1B P28222 2/20 0.68
HTR2A P28223 2/20 0.68
HTR2C P28335 2/20 0.68
SLC6A4 P31645 2/20 0.68
HTR7 P34969 2/20 0.68
HRH1 P35367 2/20 0.68
HTR5A P47898 2/20 0.68
HTR6 P50406 2/20 0.68
PTGS1 P23219 1/20 0.68
PTGS2 P35354 1/20 0.68

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
Bromide SCHEMBL27894544 0.98 HTR1A (0.80) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Bromide SCHEMBL28043137 0.97 HTR1A (0.78) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL27976827 0.90 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL546684 0.88 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Tert-Butyl Formate SCHEMBL28112659 0.87 HTR1A (0.63) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Bromide SCHEMBL20360588 0.87 HTR1A (0.97) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL547714 0.87 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL546479 0.85 HTR1A (0.90) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL17777981 0.84 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL14734867 0.84 HTR1A (1.00) 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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113125586-B Detection method of 1- [2- (2, 4-dimethyl-thiophenyl) -phenyl ] piperazine and isomer thereof 成都百裕制药股份有限公司 2022-05-24 CN claimed
CN-113125586-A Detection method of 1- [2- (2, 4-dimethyl-thiophenyl) -phenyl ] piperazine and isomer thereof 成都百裕制药股份有限公司 2021-07-16 CN claimed
CN-105254590-B Vortioxetine hydrobromate crystal form and its preparation method and application 江苏豪森药业集团有限公司 2019-09-03 CN claimed
CN-106316986-B A kind of preparation method of 1- [2- (2,4- dimethylphenylsulfanyl) phenyl] piperazine hydrobromide alpha type crystal 成都弘达药业有限公司 2019-02-05 CN claimed
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2018-05-10 US claimed
CN-107954947-A Vortioxetine hydrobromate crystal form C and preparation method thereof 北京莱瑞森医药科技有限公司 2018-04-24 CN claimed
CN-104119298-B Hydrobromic acid Wo Saiting or hydrobromic acid are fertile for Xi Ting 北京蓝贝望生物医药科技股份有限公司 2016-08-24 CN claimed
CN-104119299-B The Wo Saiting or the fertile hydrobromate for Xi Ting 北京蓝贝望生物医药科技股份有限公司 2016-08-17 CN claimed
CN-105254590-A New crystal form of vortioxetine hydrobromide, preparation method and uses thereof JIANGSU HANSOH PHARMACEUTICAL 2016-01-20 CN claimed
CN-104974110-A New crystal form of 1-[2-(2,4-dimethylphenylsulfenyl)phenyl]piperazine hydrobromide, preparation method and application thereof JIANGSU HANSOH PHARMACEUTICAL 2015-10-14 CN claimed
CN-102317272-B Purification of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine LUNDBECK & CO AS H 2014-11-12 CN claimed
CN-102317272-A Purification of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine LUNDBECK & CO AS H 2012-01-11 CN claimed
EP-1436271-B1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-02-20 EP claimed
CN-1319958-C Phenyl piperazine derivatives as serotonin reuptake inhibitors LUNDBECK & CO AS H (DK) 2007-06-06 CN claimed
US-20070060574-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2007-03-15 US claimed
US-7144884-B2 E.g., 4-[2-(4-Methylphenoxy)- or 4-[2-(4-Methylphenylsulfanyl)-phenyl]-3,6-dihydro-2H-pyridine or piperazine or the hydrochloride or oxalate; treating depression, anxiety disorder, and obsessive compulsive disorder. H. LUNDBECK A/S (DK) 2006-12-05 US claimed
US-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2005-01-20 US claimed
CN-1561336-A Phenyl-piperazine derivatives as serotonin reuptake inhibitors LUNDBECK & CO AS H (DK) 2005-01-05 CN claimed
EP-1436271-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2004-07-14 EP claimed
WO-2003029232-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2003-04-10 WO claimed

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-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885CYP1A2 309/4885
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885CYP1A2 309/4885
US-20070060574-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885CYP1A2 309/4885

“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.