Sugi Predict

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SCHEMBL3547110

SCHEMBL3547110

Cc1ccc(Sc2ccc(C(F)(F)F)cc2C2CCN(OC(=O)C(=O)ON3CCC(c4cc(C(F)(F)F)ccc4Sc4ccc(C)cc4C)CC3)CC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HTR1A P08908 6/20 0.34
▸ HTR3A P46098 6/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ FASN P49327 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL3545553 0.89 HTR1A (0.39) PTGDR2SMN1; SMN2HTR1AHTR3AHSP90AA1
SCHEMBL3546483 0.86 LMNA (0.36) EPHX2PTGDR2LMNAHTR1AHTR3A
SCHEMBL3538233 0.84 DRD4 (0.35) PTGDR2LMNAHTR1AHTR3AHSP90AA1
SCHEMBL3548483 0.82 ALDH1A1 (0.39) TRPV1PTGDR2LMNASMN1; SMN2KDM4E
Oxalic Acid SCHEMBL3547105 0.79 P2RY14 (0.41) PTGDR2HTR1AHTR3ACA1CA2
SCHEMBL3549260 0.78 HTR1A (0.44) HTR1AHTR3ACA1CA2CYP1A2
SCHEMBL3547677 0.78 HTR1A (0.39) PTGDR2LMNASMN1; SMN2KDM4EHTR1A
SCHEMBL5742628 0.74 MAPK14 (0.37) PTGDR2LMNASMN1; SMN2RBP4ALDH1A1
SCHEMBL3539799 0.74 SLC6A9 (0.48) PTGDR2LMNAKDM4EHTR1AHTR3A
SCHEMBL3540439 0.73 DRD4 (0.38) TRPV1EPHX2LMNAHTTHTR1A

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 TRPV1 464/4885EPHX2 2950/4885PTGDR2 150/4885

“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.