SCHEMBL3545275

SCHEMBL3545275

CC(C)(C)OC(=O)N1CCC(O)(c2ccc(F)cc2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
STS P08842 2/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
DRD2 P14416 3/20 0.38
MAPT P10636 1/20 0.38
S1PR2 O95136 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
APP P05067 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL3548088 0.93 MEN1 (0.43) MEN1KMT2ASTSMDM4MDM2
SCHEMBL3539818 0.91 GPR119 (0.40) KMT2AHDAC1HDAC2MAPTS1PR2
SCHEMBL3614062 0.89 ALDH1A1 (0.42) STSHDAC1HDAC2MAPTS1PR2
SCHEMBL3546005 0.87 HDAC2 (0.43) MEN1KMT2AHDAC1HDAC2S1PR2
SCHEMBL3544616 0.86 MEN1 (0.46) MEN1KMT2ASTSHDAC1DRD2
SCHEMBL3544034 0.84 GPR119 (0.41) KMT2AHDAC1HDAC2MAPTHTR1A
SCHEMBL3549538 0.84 MEN1 (0.44) MEN1KMT2ASTSDRD2MAPT
SCHEMBL3546028 0.83 GPR119 (0.42) MEN1KMT2ASTSDRD2MAPT
SCHEMBL5743102 0.83 L3MBTL1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3544111 0.83 MEN1 (0.42) MEN1KMT2AHDAC1HDAC2OPRK1

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 3 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

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 MEN1 4709/4885KMT2A 2289/4885STS 2217/4885

“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.