SCHEMBL3547829

SCHEMBL3547829

C=Cc1ccc(Sc2ccc(F)cc2C2CCN(OC(=O)C(F)(F)F)CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.35
RBP4 P02753 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3540979 0.85 MAPK14 (0.35) MAPK14RBP4SMN1; SMN2
SCHEMBL5742628 0.84 MAPK14 (0.37) MAPK14RBP4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3547825 0.80 MAPK14 (0.37) MAPK14
SCHEMBL3544303 0.80 RBP4 (0.41) MAPK14RBP4SMN1; SMN2
SCHEMBL5742641 0.78 RBP4 (0.36) MAPK14RBP4
SCHEMBL3539545 0.76 MAPK14 (0.43) MAPK14
SCHEMBL3540773 0.75 RBP4 (0.40) RBP4
SCHEMBL3548496 0.72 GRM5 (0.39) RBP4
SCHEMBL3543676 0.71 MAPK14 (0.40) MAPK14SMN1; SMN2
SCHEMBL5742981 0.71 RBP4 (0.37) RBP4

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 MAPK14 3486/4885RBP4 2710/4885SMN1; SMN2 4684/4885

“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.