Sugi Predict

Sugi Predict / Compounds / SCHEMBL3539669

SCHEMBL3539669

SCHEMBL3539669

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ STS P08842 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ MET P08581 1/20 0.37
▸ AXL P30530 1/20 0.37
▸ S1PR2 O95136 1/20 0.36
▸ PSEN1 P49768 2/20 0.36
▸ PSEN2 P49810 2/20 0.36
▸ APH1B Q8WW43 2/20 0.36
▸ NCSTN Q92542 2/20 0.36
▸ APH1A Q96BI3 2/20 0.36
▸ PSENEN Q9NZ42 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 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 0.92 HDAC2 (0.40) GPR119HDAC1HDAC2KDM1APSEN1
SCHEMBL3547847 0.91 GPR119 (0.40) ALDH1A1STSEPHX2GPR119HDAC1
SCHEMBL3549171 0.91 ALDH1A1 (0.40) ALDH1A1STSEPHX2GPR119HDAC1
SCHEMBL3540583 0.90 MEN1 (0.40) HTR1AALDH1A1STSHDAC1HDAC2
SCHEMBL3540730 0.89 HTR1A (0.47) HTR1AHTR3AALDH1A1STSEPHX2
SCHEMBL3546336 0.89 HDAC2 (0.38) HTR1AHTR3AEPHX2GPR119HDAC1
SCHEMBL3538548 0.88 ALDH1A1 (0.43) ALDH1A1STSEPHX2GPR119HDAC1
SCHEMBL3543561 0.88 PDK2 (0.40) STSEPHX2HDAC1HDAC2KDM1A
SCHEMBL3541593 0.85 PTPN11 (0.41) HTR1AHTR3AALDH1A1HDAC1HDAC2
SCHEMBL3538854 0.84 HDAC2 (0.41) GPR119HDAC1HDAC2MEN1KMT2A

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 HTR1A 11/4885HTR3A 22/4885ALDH1A1 167/4885

“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.