SCHEMBL546479

SCHEMBL546479

Cc1cccc(Sc2ccccc2N2CCCNCC2)c1

nearest known ligand 0.90

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.90
HTR3A P46098 20/20 0.90
CYP1A2 P05177 8/20 0.66
CYP3A4 P08684 8/20 0.66
CYP2D6 P10635 8/20 0.66
CYP2C9 P11712 8/20 0.66
ADRB2 P07550 2/20 0.62
ADRB1 P08588 2/20 0.62
HRH2 P25021 2/20 0.62
HTR1B P28222 2/20 0.62
HTR2A P28223 2/20 0.62
HTR2C P28335 2/20 0.62
SLC6A4 P31645 2/20 0.62
HTR7 P34969 2/20 0.62
HRH1 P35367 2/20 0.62
HTR5A P47898 2/20 0.62
HTR6 P50406 2/20 0.62
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62

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
SCHEMBL27976827 0.95 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL547667 0.85 HTR1A (0.82) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Bromide SCHEMBL27894544 0.84 HTR1A (0.80) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Bromide SCHEMBL28043137 0.83 HTR1A (0.78) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL546684 0.80 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL14734867 0.79 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL17777981 0.79 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Bromide SCHEMBL20360588 0.79 HTR1A (0.97) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL547714 0.79 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Vortioxetine SCHEMBL236115 0.76 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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2018-05-10 US claimed
US-7683053-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-03-23 US claimed
EP-1436271-B1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-02-20 EP claimed
US-20070060574-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2007-03-15 US claimed
US-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2005-01-20 US 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
EP-3484462-B1 5-HYDROXYTRYPTAMINE 1B RECEPTOR-STIMULATING AGENT FOR SKIN AND/OR HAIR REPAIR PASTEUR INSTITUT (FR) 2022-12-14 EP disclosed
US-11344515-B2 5-hydroxytryptamine 1B receptor-stimulating agent for use as a promoter of satellite cells self-renewal and/or differentiation INSTITUT PASTEUR (FR) 2022-05-31 US disclosed
EP-1436271-B3 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H LUNDBECK AS (DK) 2022-04-20 EP disclosed
EP-3377051-B1 5-HYDROXYTRYPTAMINE 1B RECEPTOR-STIMULATING AGENT FOR ENHANCING IN VIVO ENGRAFTMENT POTENTIAL PASTEUR INSTITUT (FR) 2022-03-30 EP disclosed
US-20210330863-A1 5-HYDROXYTRYPTAMINE 1B RECEPTOR-STIMULATING AGENT FOR ENHANCING IN VIVO ENGRAFTMENT POTENTIAL UNIVERSITÉ PARIS CITÉ (FR) 2021-10-28 US disclosed
US-20210276966-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2021-09-09 US disclosed
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 disclosed
US-7138407-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-11-21 US disclosed
US-20060089368-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-04-27 US disclosed
US-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-04-20 US disclosed
US-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2005-01-20 US disclosed
EP-1436271-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2004-07-14 EP disclosed
WO-2003029232-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2003-04-10 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 (8 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-11344515-B2 5-hydroxytryptamine 1B receptor-stimulating agent for use as a promoter of satellite cells self-renewal and/or differentiation CHRNB1, HTR1B, CHRNB2 HTR1A 5/4885HTR3A 14/4885CYP1A2 3565/4885
US-20060089368-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885CYP1A2 309/4885
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-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885CYP1A2 309/4885
US-20210330863-A1 5-HYDROXYTRYPTAMINE 1B RECEPTOR-STIMULATING AGENT FOR ENHANCING IN VIVO ENGRAFTMENT POTENTIAL HTR1B, HTR3B, HTR2B HTR1A 4/4885HTR3A 7/4885CYP1A2 3146/4885
US-20210276966-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.