SCHEMBL3542802

SCHEMBL3542802

Fc1ccc(Sc2ccc(Br)cc2F)c(C2CCNCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.45
SLC6A2 P23975 14/20 0.42
SLC6A4 P31645 14/20 0.42
SLC6A3 Q01959 13/20 0.42
HTR1A P08908 10/20 0.42
HTR6 P50406 4/20 0.36

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
SCHEMBL3541626 0.90 MAPK14 (0.52) MAPK14SLC6A2SLC6A4SLC6A3HTR1A
Trifluoroacetic Acid SCHEMBL3540978 0.90 MAPK14 (0.39) MAPK14SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3547302 0.84 SLC6A2 (0.47) MAPK14SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3547561 0.84 SLC6A2 (0.50) MAPK14SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3545463 0.84 SLC6A2 (0.47) MAPK14SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13317008 0.82 DRD2 (0.39) MAPK14SLC6A4
SCHEMBL3548605 0.82 SLC6A2 (0.50) MAPK14SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3538396 0.81 SLC6A2 (0.50) MAPK14SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3544371 0.81 SLC6A2 (0.47) MAPK14SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3617207 0.81 MAPK14 (0.43) MAPK14SLC6A2SLC6A4SLC6A3HTR1A

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-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 claimed
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-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 MAPK14 3486/4885SLC6A2 84/4885SLC6A4 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.