SCHEMBL3547182

SCHEMBL3547182

O=C(ON1CCC(c2ccc(F)cc2Sc2ccc(Cl)cc2)CC1)C(=O)ON1CCC(c2ccc(F)cc2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
SLC6A9 P48067 3/20 0.37
AKR1B1 P15121 1/20 0.37
IDO1 P14902 2/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
TDO2 P48775 1/20 0.37
GRM5 P41594 1/20 0.36
MAPK14 Q16539 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
MGLL Q99685 1/20 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
SCHEMBL3544187 0.91 PTGDR2 (0.42) TBXA2RPTGDR2SLC6A9AKR1B1IDO1
SCHEMBL3548158 0.84 MEN1 (0.42) SLC6A9CYP2C9MEN1KMT2AHTR1A
SCHEMBL3543676 0.84 MAPK14 (0.40) TBXA2RPTGDR2MAPK14MEN1KMT2A
SCHEMBL5743280 0.82 SLC6A9 (0.42) PTGDR2SLC6A9GRM5MAPK14MGLL
SCHEMBL3543682 0.80 NPSR1 (0.36) PTGDR2MAPK14HTR1AMGLL
SCHEMBL3541664 0.78 SLC6A9 (0.41) SLC6A9MAPK14HTR1AHTR2A
Oxalic Acid SCHEMBL3547180 0.77 SLC6A2 (0.41) TBXA2RPTGDR2SLC6A9MAPK14HTR1A
SCHEMBL3548496 0.77 GRM5 (0.39) TBXA2RPTGDR2IDO1GRM5MGLL
SCHEMBL3544851 0.76 SLC6A2 (0.45) CYP2C9MAPK14HTR1A
SCHEMBL3546985 0.74 SLC6A9 (0.42) SLC6A9MEN1KMT2AHTR1AMGLL

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 5 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
EP-1626720-B1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-09-03 EP 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 TBXA2R 367/4885PTGDR2 150/4885SLC6A9 1312/4885

“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.