SCHEMBL3549049

SCHEMBL3549049

CC(C)(C)OC(=O)N1CCC(O)(c2cc(F)ccc2Sc2ccc(Cl)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP3A5 P20815 2/20 0.44
PSEN1 P49768 6/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
USP30 Q70CQ3 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
APP P05067 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1D P28221 1/20 0.39

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
SCHEMBL3538854 0.93 HDAC2 (0.41) MEN1KMT2AHDAC1HDAC2GPR119
SCHEMBL3540583 0.92 MEN1 (0.40) CYP3A4CYP3A5PSEN1PSEN2APH1B
SCHEMBL3545542 0.90 CYP3A4 (0.44) CYP3A4CYP3A5USP30MEN1KMT2A
SCHEMBL3548088 0.89 MEN1 (0.43) CYP3A4CYP3A5PSEN1PSEN2APH1B
SCHEMBL3543749 0.89 HDAC2 (0.39) KMT2ADRD2DRD3HDAC1HDAC2
SCHEMBL3545421 0.89 HDAC2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3539755 0.88 USP30 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3539688 0.88 PDK2 (0.41) MEN1KMT2AHDAC1HDAC2GPR119
SCHEMBL3547847 0.87 GPR119 (0.40) MEN1KMT2AHDAC1HDAC2GPR119
SCHEMBL3545788 0.87 STS (0.41) CYP3A4CYP3A5PSEN1PSEN2APH1B

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 CYP3A4 1381/4885CYP3A5 737/4885PSEN1 791/4885

“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.