SCHEMBL3552370

SCHEMBL3552370

CC(C)(C)OC(=O)N1CCC(c2ccccc2OS(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
DRD5 P21918 1/20 0.53
DRD3 P35462 1/20 0.53
GPR119 Q8TDV5 3/20 0.50
STS P08842 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
NAMPT P43490 1/20 0.45
SCN9A Q15858 1/20 0.44
THRB P10828 2/20 0.44
HPGDS O60760 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL3418896 0.89 GPR119 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16520806 0.88 DRD2 (0.63) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4848246 0.88 SMN1; SMN2 (0.48) GPR119STSMEN1KMT2AKDM4E
SCHEMBL29139922 0.86 DRD2 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL23209949 0.84 GPR119 (0.51) GPR119MEN1KMT2AKDM4EPKM
SCHEMBL29691266 0.84 GPR119 (0.51) GPR119MEN1KMT2AKDM4EPKM
SCHEMBL29844007 0.83 CHRM4 (0.59) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6606604 0.83 SMN1; SMN2 (0.54) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4854592 0.82 MEN1 (0.64) DRD2GPR119MEN1KMT2AALDH1A1
SCHEMBL23213284 0.82 CHRM4 (0.57) DRD2DRD1DRD4DRD5DRD3

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
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
US-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands H. LUNDBECK A/S (DE) 2003-06-26 US disclosed
US-6514993-B1 Useful in the treatment of certain psychic and neurologic disorders H. LUNDBECK A/S (DK) 2003-02-04 US disclosed
EP-0770066-B1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2000-05-17 EP 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 (2 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 DRD2 7/4885DRD1 18/4885DRD4 6/4885
US-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands HTR5A, HTR2C, HTR1D DRD2 7/4885DRD1 16/4885DRD4 25/4885

“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.