Sugi Predict

Sugi Predict / Compounds / SCHEMBL3547010

SCHEMBL3547010

SCHEMBL3547010

COc1ccc(Sc2ccc(C)cc2C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.46
▸ HTR3A P46098 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ GPR119 Q8TDV5 3/20 0.42
▸ SLC6A9 P48067 1/20 0.42
▸ STS P08842 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ CTSD P07339 1/20 0.39
▸ CTSE P14091 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP9 P14780 1/20 0.38

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
SCHEMBL3549234 0.93 GPR119 (0.44) HTR1AHTR3AALDH1A1GPR119TP53
SCHEMBL3538548 0.89 ALDH1A1 (0.43) ALDH1A1GPR119SLC6A9STSHTT
SCHEMBL3549538 0.89 MEN1 (0.44) HTR1AHTR3AALDH1A1GPR119STS
SCHEMBL3542345 0.88 ALDH1A1 (0.45) HTR1AHTR3AALDH1A1GPR119SLC6A9
SCHEMBL3544034 0.85 GPR119 (0.41) HTR1AHTR3AALDH1A1GPR119TP53
SCHEMBL3614062 0.84 ALDH1A1 (0.42) ALDH1A1GPR119STSHTTCTSD
SCHEMBL3547364 0.84 L3MBTL1 (0.44) HTR1AHTR3AGPR119MEN1KMT2A
SCHEMBL546768 0.83 GPR119 (0.43) HTR1AHTR3AGPR119KDM1ASMN1; SMN2
SCHEMBL3542230 0.83 SYK (0.46) ALDH1A1GPR119STSMAPTSMN1; SMN2
SCHEMBL3546005 0.81 HDAC2 (0.43) ALDH1A1GPR119KDM1ALMNASMN1; SMN2

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 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.