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SCHEMBL3614062

SCHEMBL3614062

COc1ccc(Sc2cc(F)ccc2C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.41
▸ S1PR2 O95136 2/20 0.39
▸ STS P08842 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CTSD P07339 1/20 0.38
▸ CTSE P14091 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ MET P08581 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP7 P09237 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
SCHEMBL3538548 0.93 ALDH1A1 (0.43) ALDH1A1GPR119S1PR2STSMAPT
SCHEMBL3539818 0.90 GPR119 (0.40) ALDH1A1GPR119S1PR2MAPTHDAC2
SCHEMBL3545275 0.89 MEN1 (0.43) S1PR2STSMAPTHDAC2HDAC1
SCHEMBL3542345 0.86 ALDH1A1 (0.45) ALDH1A1GPR119STSMAPTKDM4E
SCHEMBL3546005 0.86 HDAC2 (0.43) ALDH1A1GPR119S1PR2HDAC2HDAC1
SCHEMBL3547010 0.84 HTR1A (0.46) ALDH1A1GPR119STSMAPTKDM4E
SCHEMBL3544034 0.83 GPR119 (0.41) ALDH1A1GPR119MAPTHDAC2HDAC1
SCHEMBL3541593 0.83 PTPN11 (0.41) ALDH1A1HDAC2HDAC1LMNA
SCHEMBL3549171 0.83 ALDH1A1 (0.40) ALDH1A1GPR119S1PR2STSHTT
SCHEMBL3547847 0.83 GPR119 (0.40) ALDH1A1GPR119S1PR2STSHTT

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 ALDH1A1 167/4885GPR119 1617/4885S1PR2 2304/4885

“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.