SCHEMBL3545000

SCHEMBL3545000

Cc1ccccc1Sc1ccc(F)cc1C1(O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC2 Q92769 2/20 0.39
HDAC1 Q13547 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 1/20 0.39
TACR1 P25103 1/20 0.39
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
RORC P51449 1/20 0.37
ACACB O00763 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
TP53 P04637 1/20 0.36
BRD3 Q15059 1/20 0.36
PTPN11 Q06124 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL3539688 0.91 PDK2 (0.41) PDK2HDAC2HDAC1MEN1KMT2A
SCHEMBL3547662 0.90 LMNA (0.41) PDK2L3MBTL1HDAC2HDAC1KMT2A
SCHEMBL3543561 0.89 PDK2 (0.40) PDK2HDAC2HDAC1MEN1KMT2A
SCHEMBL3549171 0.88 ALDH1A1 (0.40) L3MBTL1HDAC2HDAC1MEN1KMT2A
SCHEMBL3540808 0.88 DRD2 (0.41) PDK2L3MBTL1HDAC2HDAC1KMT2A
SCHEMBL3544111 0.88 MEN1 (0.42) PDK2HDAC2HDAC1MEN1KMT2A
SCHEMBL3538854 0.88 HDAC2 (0.41) PDK2L3MBTL1HDAC2HDAC1MEN1
SCHEMBL3543749 0.86 HDAC2 (0.39) PDK2L3MBTL1HDAC2HDAC1KMT2A
SCHEMBL3545421 0.86 HDAC2 (0.40) PDK2L3MBTL1HDAC2HDAC1MEN1
SCHEMBL3546005 0.85 HDAC2 (0.43) PDK2L3MBTL1HDAC2HDAC1MEN1

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 PDK2 98/4885L3MBTL1 4197/4885HDAC2 113/4885

“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.