SCHEMBL3547847

SCHEMBL3547847

COc1ccc(Sc2ccc(F)cc2C2(O)CCN(C(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.40
ALDH1A1 P00352 1/20 0.40
STS P08842 2/20 0.39
EPHX2 P34913 1/20 0.39
CPS1 P31327 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MET P08581 1/20 0.38
AXL P30530 1/20 0.38
S1PR2 O95136 1/20 0.37
RORC P51449 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3549171 0.92 ALDH1A1 (0.40) GPR119ALDH1A1STSEPHX2HDAC1
SCHEMBL3538854 0.92 HDAC2 (0.41) GPR119HDAC1HDAC2RORCMEN1
SCHEMBL3539669 0.91 HTR1A (0.39) GPR119ALDH1A1STSEPHX2HDAC1
SCHEMBL3538548 0.89 ALDH1A1 (0.43) GPR119ALDH1A1STSEPHX2HDAC1
SCHEMBL3543749 0.88 HDAC2 (0.39) GPR119EPHX2HDAC1HDAC2RORC
SCHEMBL3549049 0.87 CYP3A4 (0.44) GPR119STSHDAC1HDAC2MEN1
SCHEMBL3539755 0.87 USP30 (0.42) GPR119HDAC1HDAC2RORC
SCHEMBL3539688 0.87 PDK2 (0.41) GPR119HDAC1HDAC2RORCMEN1
SCHEMBL3541593 0.87 PTPN11 (0.41) ALDH1A1HDAC1HDAC2MEN1KMT2A
SCHEMBL3545421 0.84 HDAC2 (0.40) GPR119HDAC1HDAC2RORCMEN1

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 2 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

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 GPR119 1617/4885ALDH1A1 167/4885STS 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.