SCHEMBL3538233

SCHEMBL3538233

Cc1ccc(Sc2ccc(F)cc2C)c(C2CCN(OC(=O)C(=O)ON3CCC(c4cc(C)ccc4Sc4ccc(F)cc4C)CC3)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
OPRL1 P41146 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
HTR1A P08908 6/20 0.33
HTR3A P46098 6/20 0.33
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A4 P31645 2/20 0.33
HSP90AA1 P07900 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPK14 Q16539 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3546483 0.96 LMNA (0.36) DRD4DRD2DRD3OPRL1MAPT
SCHEMBL3545553 0.92 HTR1A (0.39) DRD4DRD2DRD3PTGDR2HTR1A
SCHEMBL3547110 0.84 TRPV1 (0.37) LMNAPTGDR2HTR1AHTR3ASLC6A4
SCHEMBL5742628 0.83 MAPK14 (0.37) DRD4DRD2DRD3MAPTLMNA
SCHEMBL3547677 0.83 HTR1A (0.39) DRD4DRD2DRD3MAPTLMNA
SCHEMBL3548496 0.81 GRM5 (0.39) OPRL1PTGDR2
SCHEMBL3543676 0.81 MAPK14 (0.40) MAPTLMNAPTGDR2HTR1AHTR3A
SCHEMBL3539799 0.78 SLC6A9 (0.48) MAPTLMNAPTGDR2HTR1AHTR3A
Oxalic Acid SCHEMBL3538229 0.78 SLC6A4 (0.45) TP53THRBHTR1AHTR3ASLC6A4
SCHEMBL3541664 0.77 SLC6A9 (0.41) LMNAHTR1AHTR3AMAPK14HTR2A

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 DRD4 6/4885DRD2 7/4885DRD3 26/4885

“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.