SCHEMBL3540439

SCHEMBL3540439

Cc1ccc(Sc2c(F)cccc2C2CCN(OC(=O)C(F)(F)F)CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.38
HTR1A P08908 6/20 0.36
HTR3A P46098 6/20 0.36
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
RBP4 P02753 3/20 0.32
HSP90AA1 P07900 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
DRD2 P14416 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP1A2 P05177 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
Trifluoroacetic Acid SCHEMBL3540434 0.80 HTR1A (0.42) HTR1AHTR3ACYP1A2ADRB2ADRB1
SCHEMBL5742487 0.78 DRD4 (0.33) DRD4LMNAMAPTTP53THRB
SCHEMBL5742628 0.78 MAPK14 (0.37) DRD4LMNAMAPTTP53THRB
SCHEMBL3546222 0.77 RBP4 (0.40) MAPTTP53RBP4TRPV1
SCHEMBL5743114 0.76 ENPP2 (0.34) DRD4HTR1AHTR3ARBP4TSHR
SCHEMBL3544718 0.76 HTR1A (0.49) HTR1AHTR3ACYP1A2ADRB2ADRB1
SCHEMBL5742981 0.75 RBP4 (0.37) DRD4LMNAMAPTTP53RBP4
SCHEMBL5742058 0.74 HSD11B1 (0.41) LMNARBP4
SCHEMBL3543682 0.74 NPSR1 (0.36) DRD4HTR1AHTR3AMAPTRBP4
SCHEMBL3545553 0.74 HTR1A (0.39) DRD4HTR1AHTR3AHSP90AA1DRD2

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 DRD4 6/4885HTR1A 11/4885HTR3A 22/4885

“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.