SCHEMBL3544303

SCHEMBL3544303

O=C(ON1CCC(c2cc(F)ccc2Sc2ccccc2)CC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.41
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SCD5 Q86SK9 1/20 0.36
SLC6A9 P48067 3/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
MAPK14 Q16539 3/20 0.35
HRH2 P25021 3/20 0.35

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
SCHEMBL3543676 0.83 MAPK14 (0.40) KDM4ESMN1; SMN2ALDH1A1MAPTPTGDR2
SCHEMBL5742641 0.83 RBP4 (0.36) RBP4ALDH1A1SCD5SLC6A9PTGDR2
SCHEMBL3540979 0.82 MAPK14 (0.35) RBP4SMN1; SMN2MAPK14
SCHEMBL3543682 0.81 NPSR1 (0.36) RBP4KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL5742628 0.81 MAPK14 (0.37) RBP4SMN1; SMN2ALDH1A1MAPTPTGDR2
SCHEMBL3547829 0.80 MAPK14 (0.35) RBP4SMN1; SMN2MAPK14
SCHEMBL5742408 0.79 KDM4E (0.48) RBP4KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL3544187 0.79 PTGDR2 (0.42) KDM4EALDH1A1MAPTSLC6A9PTGDR2
SCHEMBL5743280 0.79 SLC6A9 (0.42) SCD5SLC6A9PTGDR2MAPK14
Trifluoroacetic Acid SCHEMBL3544301 0.79 SLC6A2 (0.41) RBP4MAPK14

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 RBP4 2710/4885KDM4E 1091/4885SMN1; 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.