SCHEMBL3546005

SCHEMBL3546005

CC(C)(C)OC(=O)N1CCC(O)(c2cc(F)ccc2Sc2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.43
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
RORC P51449 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 1/20 0.39
PDK2 Q15119 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
S1PR2 O95136 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
SYK P43405 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3544034 0.95 GPR119 (0.41) HDAC2HDAC1ALDH1A1LMNARORC
SCHEMBL3548088 0.94 MEN1 (0.43) HDAC2HDAC1MEN1KMT2A
SCHEMBL3544111 0.94 MEN1 (0.42) HDAC2HDAC1RORCMEN1KMT2A
SCHEMBL3538548 0.93 ALDH1A1 (0.43) HDAC2HDAC1ALDH1A1LMNAKDM1A
SCHEMBL3553180 0.91 HDAC2 (0.40) HDAC2HDAC1ALDH1A1RORCMEN1
SCHEMBL3538854 0.89 HDAC2 (0.41) HDAC2HDAC1RORCMEN1KMT2A
SCHEMBL3539818 0.88 GPR119 (0.40) HDAC2HDAC1ALDH1A1LMNARORC
SCHEMBL3545421 0.87 HDAC2 (0.40) HDAC2HDAC1RORCMEN1KMT2A
SCHEMBL3545788 0.87 STS (0.41) HDAC2HDAC1RORCMEN1KMT2A
SCHEMBL3545275 0.87 MEN1 (0.43) HDAC2HDAC1MEN1KMT2AS1PR2

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 HDAC2 113/4885HDAC1 259/4885ALDH1A1 167/4885

“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.