SCHEMBL3545874

SCHEMBL3545874

Fc1ccc(Sc2ccc(F)cc2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTR1A P08908 3/20 0.39
HTR3A P46098 3/20 0.39
AGBL2 Q5U5Z8 1/20 0.38
IDO1 P14902 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DHFR P00374 1/20 0.35
RHEB Q15382 2/20 0.35
MAPK14 Q16539 5/20 0.34
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
MAPK13 O15264 1/20 0.33

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
SCHEMBL3541411 0.89 MEN1 (0.47) PDE7AMAPTKDM4EALDH1A1HPGD
SCHEMBL3544118 0.89 HTR1A (0.44) PDE7AMAPTKDM4EALDH1A1HPGD
SCHEMBL3543388 0.88 ALDH1A1 (0.40) PDE7AMAPTKDM4EALDH1A1HPGD
SCHEMBL13239537 0.82 LMNA (0.53) PDE7AMAPTKDM4EALDH1A1HPGD
SCHEMBL3544040 0.79 MAPK14 (0.39) ALDH1A1MAPK14MAPK13
SCHEMBL3543373 0.76 ATM (0.43) PDE7AKDM4EMAPK14MAPK13
SCHEMBL15208335 0.76 MAPK14 (0.49) PDE7AMAPK14KCNQ3KCNQ2MAPK13
SCHEMBL3547054 0.75 MAPK14 (0.40) MAPK14MAPK13
SCHEMBL30032237 0.74 ADRA2A (0.36) MAPTALDH1A1MEN1KMT2A
SCHEMBL2714643 0.74 ADRA2A (0.36) MAPTALDH1A1MEN1KMT2A

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 4 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
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 PDE7A 711/4885MAPT 2875/4885KDM4E 1091/4885

“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.