SCHEMBL546680

SCHEMBL546680

Cc1ccc(Sc2ccccc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
HTR1A P08908 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
HTR3A P46098 2/20 0.46
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DHFR P00374 1/20 0.41
ALDH1A1 P00352 2/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL30968879 1.00 CYP1A2 (0.46) CYP1A2CYP3A4HTR1ACYP2D6CYP2C9
SCHEMBL11121836 0.84 CYP1A2 (0.53) CYP1A2CYP3A4HTR1ACYP2D6CYP2C9
SCHEMBL30548756 0.84 CYP1A2 (0.53) CYP1A2CYP3A4HTR1ACYP2D6CYP2C9
SCHEMBL9473611 0.83 SMN1; SMN2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9LMNA
SCHEMBL547713 0.82 LMNA (0.46) CYP1A2CYP3A4HTR1ACYP2D6CYP2C9
SCHEMBL28100078 0.82 LMNA (0.43) CYP1A2CYP3A4HTR1ACYP2D6CYP2C9
SCHEMBL3547807 0.79 SLC6A4 (0.50) CYP1A2CYP3A4HTR1ACYP2D6CYP2C9
SCHEMBL3547431 0.79 HTR1A (0.45) HTR1AHTR3ALMNAL3MBTL1TDP1
SCHEMBL3542179 0.79 MEN1 (0.54) HTR1AHTR3ALMNAMEN1KMT2A
SCHEMBL11602202 0.78 HTR1A (0.49) CYP1A2CYP3A4HTR1ACYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426679-A1 SPIRO-(INDANE-FLUORENE) TYPE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2024-09-11 EP disclosed
WO-2023078824-A1 SPIRO-(INDANE-FLUORENE) TYPE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2023-05-11 WO disclosed
EP-1436271-B3 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H LUNDBECK AS (DK) 2022-04-20 EP disclosed
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-20170087138-A1 Therapeutic Uses Of Compounds Having Affinity To The Serotonin Transporter, Serotonin Receptors And Noradrenalin Transporter H LUNDBECK AS (DK) 2017-03-30 US disclosed
US-20170037006-A1 CRYSTALLINE FORMS OF 4-[2-(4-METHYLPHENYLSULFANYL)-PHENYL] PIPERIDINE H LUNDBECK AS (DK) 2017-02-09 US disclosed
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2016-05-19 US disclosed
US-20070060574-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2007-03-15 US disclosed
EP-1749818-A2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. Lundbeck A/S (DK) 2007-02-07 EP 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 (10 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 CYP1A2 309/4885CYP3A4 963/4885HTR1A 5/4885
US-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C CYP1A2 309/4885CYP3A4 963/4885HTR1A 5/4885
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C CYP1A2 309/4885CYP3A4 963/4885HTR1A 5/4885
US-20170087138-A1 Therapeutic Uses Of Compounds Having Affinity To The Serotonin Transporter, Serotonin Receptors And Noradrenalin Transporter SLC6A2, SLC6A4, SLC18A2 CYP1A2 1512/4885CYP3A4 951/4885HTR1A 18/4885
US-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C CYP1A2 309/4885CYP3A4 963/4885HTR1A 5/4885
US-20210276966-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C CYP1A2 309/4885CYP3A4 963/4885HTR1A 5/4885
US-20070060574-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C CYP1A2 309/4885CYP3A4 963/4885HTR1A 5/4885
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C CYP1A2 309/4885CYP3A4 963/4885HTR1A 5/4885
US-20170037006-A1 CRYSTALLINE FORMS OF 4-[2-(4-METHYLPHENYLSULFANYL)-PHENYL] PIPERIDINE PMP22, SCN4A, SFPQ CYP1A2 2585/4885CYP3A4 1207/4885HTR1A 908/4885
US-10844029-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C CYP1A2 309/4885CYP3A4 963/4885HTR1A 5/4885

“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.