SCHEMBL3542952

SCHEMBL3542952

FC(F)(F)c1ccc(Sc2ccc(Cl)cc2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SLC6A4 P31645 5/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
DDR1 Q08345 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HAO1 Q9UJM8 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 2/20 0.36
RHEB Q15382 1/20 0.36
PDE7A Q13946 1/20 0.34
MIF P14174 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3544287 0.84 MLYCD (0.46) SLC6A4KDM4EMAPTHPGDCYP1A2
SCHEMBL24871310 0.81 MEN1 (0.53) MEN1KMT2ASLC6A4KDM4EMAPT
SCHEMBL30278573 0.81 MEN1 (0.53) MEN1KMT2ASLC6A4KDM4EMAPT
SCHEMBL5430741 0.81 ALDH1A1 (0.49) MEN1KMT2ASLC6A4KDM4EMAPT
SCHEMBL3541411 0.78 MEN1 (0.47) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL7943862 0.77 HAO1 (0.50) MEN1KMT2ASLC6A4MAPTHAO1
Hydrochloric Acid SCHEMBL4773912 0.76 MEN1 (0.39) MEN1KMT2ASLC6A4KDM4EMAPT
SCHEMBL3537628 0.75 HTR1A (0.50) MEN1KMT2ASLC6A4KDM4EMAPT
SCHEMBL25340347 0.73 SLC6A4 (0.54) SLC6A4KDM4EMAPTHAO1SLC6A2
SCHEMBL18173643 0.72 HPGD (0.45) SLC6A4MAPTHPGDL3MBTL1SLC6A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 US disclosed
EP-1626720-B1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-09-03 EP disclosed
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 US disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 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 (1 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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 MEN1 4709/4885KMT2A 2289/4885SLC6A4 14/4885

“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.