SCHEMBL3544775

SCHEMBL3544775

Cc1ccc(Sc2ccc(Cl)cc2)c(C2CCN(OC(=O)C(F)(F)F)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
HTR3A P46098 1/20 0.40
CYP2C9 P11712 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A9 P48067 4/20 0.35
RBP4 P02753 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
TBXA2R P21731 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
SCHEMBL3548483 0.86 ALDH1A1 (0.39) PTGDR2MAPTLMNAKDM4EALDH1A1
SCHEMBL5744793 0.85 SLC6A9 (0.42) HTR1AHTR3AMAPTLMNAKDM4E
SCHEMBL3547677 0.82 HTR1A (0.39) HTR1AHTR3APTGDR2MAPTLMNA
SCHEMBL5742628 0.82 MAPK14 (0.37) PTGDR2MAPTLMNAALDH1A1RBP4
SCHEMBL5743114 0.82 ENPP2 (0.34) HTR1AHTR3ACYP2C9PTGDR2KDM4E
SCHEMBL5742412 0.82 HTR1A (0.38) HTR1AHTR3ALMNASLC6A9RBP4
SCHEMBL3543682 0.80 NPSR1 (0.36) HTR1AHTR3APTGDR2MAPTKDM4E
Trifluoroacetic Acid SCHEMBL3544769 0.79 HTR1A (0.47) HTR1AHTR3ACYP2C9PTGDR2
SCHEMBL3544187 0.79 PTGDR2 (0.42) HTR1ACYP2C9PTGDR2MAPTLMNA
SCHEMBL3546222 0.79 RBP4 (0.40) MAPTALDH1A1RBP4

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 HTR1A 11/4885HTR3A 22/4885CYP2C9 1128/4885

“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.