SCHEMBL3540808

SCHEMBL3540808

Cc1ccc(Sc2ccc(F)cc2C)c(C2(O)CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC2 Q92769 2/20 0.39
HDAC1 Q13547 1/20 0.39
SYK P43405 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
EPHX2 P34913 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
PDK2 Q15119 1/20 0.37
ACACB O00763 2/20 0.36
BRD3 Q15059 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3547662 0.96 LMNA (0.41) DRD2DRD4DRD3L3MBTL1HDAC2
SCHEMBL3547364 0.93 L3MBTL1 (0.44) DRD2DRD4DRD3L3MBTL1SYK
SCHEMBL3543749 0.90 HDAC2 (0.39) DRD2DRD4DRD3L3MBTL1HDAC2
SCHEMBL3546336 0.88 HDAC2 (0.38) DRD2DRD4DRD3L3MBTL1HDAC2
SCHEMBL3549171 0.88 ALDH1A1 (0.40) L3MBTL1HDAC2HDAC1EPHX2GPR119
SCHEMBL3545000 0.88 PDK2 (0.41) L3MBTL1HDAC2HDAC1SYKTP53
SCHEMBL3544034 0.87 GPR119 (0.41) L3MBTL1HDAC2HDAC1SYKLMNA
SCHEMBL3540605 0.86 EPHX2 (0.40) L3MBTL1SYKLMNAMAPTEPHX2
SCHEMBL3538854 0.85 HDAC2 (0.41) L3MBTL1HDAC2HDAC1SYKGPR119
SCHEMBL3549234 0.84 GPR119 (0.44) L3MBTL1SYKTP53MAPTEPHX2

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
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
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 DRD2 7/4885DRD4 6/4885DRD3 26/4885

“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.