SCHEMBL3546336

SCHEMBL3546336

Cc1ccc(Sc2ccc(F)cc2C2(O)CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.38
HDAC1 Q13547 1/20 0.38
SYK P43405 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EPHX2 P34913 1/20 0.37
MC4R P32245 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
NTRK1 P04629 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KDM1A O60341 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL3545421 0.94 HDAC2 (0.40) HDAC2HDAC1SYKMEN1KMT2A
SCHEMBL3540583 0.91 MEN1 (0.40) HDAC2HDAC1MEN1KMT2AL3MBTL1
SCHEMBL3543749 0.90 HDAC2 (0.39) HDAC2HDAC1SYKKMT2AEPHX2
SCHEMBL3547662 0.90 LMNA (0.41) HDAC2HDAC1SYKKMT2AEPHX2
SCHEMBL3543561 0.89 PDK2 (0.40) HDAC2HDAC1SYKMEN1KMT2A
SCHEMBL3539669 0.89 HTR1A (0.39) HDAC2HDAC1MEN1KMT2AEPHX2
SCHEMBL3540808 0.88 DRD2 (0.41) HDAC2HDAC1SYKKMT2AEPHX2
SCHEMBL3544034 0.87 GPR119 (0.41) HDAC2HDAC1SYKKMT2AGPR119
SCHEMBL3538854 0.86 HDAC2 (0.41) HDAC2HDAC1SYKMEN1KMT2A
SCHEMBL3549049 0.85 CYP3A4 (0.44) HDAC2HDAC1MEN1KMT2AGPR119

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 259/4885SYK 3595/4885

“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.