SCHEMBL546580

SCHEMBL546580

COc1ccc(Sc2ccccc2C2=CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.52
HTR3A P46098 4/20 0.52
HTR6 P50406 8/20 0.48
HTR2C P28335 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
HTR1D P28221 1/20 0.48
MAPK1 P28482 1/20 0.48
BRCA1 P38398 1/20 0.48
POLB P06746 1/20 0.44
PTGIR P43119 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
HTR7 P34969 2/20 0.42
DRD2 P14416 2/20 0.40

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
SCHEMBL4699923 0.86 HTR1A (0.55) HTR1AHTR3AHTR6HTR2CMEN1
SCHEMBL4700508 0.85 HTR2C (0.47) HTR1AHTR3AHTR6HTR2CKDM4E
SCHEMBL547129 0.85 HTR1A (0.49) HTR1AHTR3AHTR6HTR2CMEN1
SCHEMBL4703073 0.85 HTR2C (0.57) HTR1AHTR3AHTR6HTR2CKDM4E
SCHEMBL4698264 0.84 HTR1A (0.55) HTR1AHTR3AHTR6HTR2CMEN1
SCHEMBL4699022 0.84 JAK2 (0.50) HTR1AHTR3AHTR6HTR2CMEN1
SCHEMBL4698330 0.83 HTR6 (0.47) HTR1AHTR3AHTR6HTR2CMEN1
SCHEMBL4700819 0.83 HTR6 (0.50) HTR1AHTR3AHTR6HTR2CMEN1
SCHEMBL4697963 0.83 HTR6 (0.47) HTR1AHTR3AHTR6HTR2CMEN1
SCHEMBL4698974 0.83 HTR2C (0.56) HTR6HTR2CKDM4EALDH1A1MAPT

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 32 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
EP-1749818-B1 Phenyl-piperidine derivatives as serotonin reuptake inhibitors LUNDBECK & CO AS H (DK) 2009-09-02 EP claimed
US-20070060574-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2007-03-15 US claimed
EP-1749818-A2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. Lundbeck A/S (DK) 2007-02-07 EP claimed
US-7138407-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-11-21 US claimed
US-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-04-20 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-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-20060089368-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885HTR6 16/4885
US-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885HTR6 16/4885
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885HTR6 16/4885
US-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885HTR6 16/4885
US-20210276966-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885HTR6 16/4885
US-20070060574-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885HTR6 16/4885
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885HTR6 16/4885
US-10844029-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885HTR6 16/4885

“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.