SCHEMBL547048

SCHEMBL547048

COc1ccccc1Oc1ccccc1N1CCNCC1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.81
DRD2 P14416 3/20 0.81
DRD3 P35462 2/20 0.81
HTR3E A5X5Y0 1/20 0.81
HTR3B O95264 1/20 0.81
ADRB1 P08588 1/20 0.81
CYP2C19 P33261 1/20 0.81
HTR6 P50406 1/20 0.81
HTR3D Q70Z44 1/20 0.81
HTR3C Q8WXA8 1/20 0.81
SIGMAR1 Q99720 1/20 0.81
LMNA P02545 1/20 0.79
MAPT P10636 1/20 0.79
HTR7 P34969 3/20 0.68
HTR1A P08908 9/20 0.67
SLC6A2 P23975 4/20 0.67
SLC6A4 P31645 4/20 0.67
SLC6A3 Q01959 3/20 0.67
HTR2B P41595 1/20 0.53

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
SCHEMBL379 0.90 HTR3A (1.00) HTR3ADRD2DRD3HTR3EHTR3B
SCHEMBL6366499 0.90 HTR3A (1.00) HTR3ADRD2DRD3HTR3EHTR3B
SCHEMBL29396943 0.90 HTR3A (1.00) HTR3ADRD2DRD3HTR3EHTR3B
Piperazine SCHEMBL28843777 0.88 HTR3A (0.96) HTR3ADRD2DRD3HTR3EHTR3B
Hydrochloric Acid SCHEMBL6602545 0.88 LMNA (1.00) HTR3ADRD2DRD3HTR3EHTR3B
Hydrochloric Acid SCHEMBL29397565 0.88 LMNA (1.00) HTR3ADRD2DRD3HTR3EHTR3B
Hydrochloric Acid SCHEMBL246416 0.88 LMNA (1.00) HTR3ADRD2DRD3HTR3EHTR3B
Bromide SCHEMBL27797305 0.88 HTR3A (0.96) HTR3ADRD2DRD3HTR3EHTR3B
Hydrochloric Acid SCHEMBL9069817 0.87 HTR3A (0.93) HTR3ADRD2DRD3HTR3EHTR3B
Iodide SCHEMBL27505006 0.87 HTR3A (0.93) HTR3ADRD2DRD3HTR3EHTR3B

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 27 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-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
US-20210276966-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2021-09-09 US disclosed
US-10844029-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2020-11-24 US disclosed
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2018-05-10 US disclosed
US-9708280-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2017-07-18 US disclosed
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2016-05-19 US disclosed
US-9090575-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2015-07-28 US disclosed
US-20140163043-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2014-06-12 US disclosed
US-7148238-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-12-12 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 (9 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-20060089368-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR3A 9/4885DRD2 23/4885DRD3 38/4885
US-20140163043-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C HTR3A 9/4885DRD2 23/4885DRD3 38/4885
US-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR3A 9/4885DRD2 23/4885DRD3 38/4885
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C HTR3A 9/4885DRD2 23/4885DRD3 38/4885
US-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR3A 9/4885DRD2 23/4885DRD3 38/4885
US-20210276966-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C HTR3A 9/4885DRD2 23/4885DRD3 38/4885
US-20070060574-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C HTR3A 9/4885DRD2 23/4885DRD3 38/4885
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C HTR3A 9/4885DRD2 23/4885DRD3 38/4885
US-10844029-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR3A 9/4885DRD2 23/4885DRD3 38/4885

“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.