SCHEMBL3539799

SCHEMBL3539799

COc1ccc(Sc2ccc(C)cc2C2CCN(OC(=O)C(=O)ON3CCC(c4cc(C)ccc4Sc4ccc(OC)cc4)CC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.48
HTR1A P08908 2/20 0.47
HTR3A P46098 2/20 0.47
AKR1B1 P15121 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MGLL Q99685 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL3547677 0.92 HTR1A (0.39) SLC6A9HTR1AHTR3APTGDR2ALDH1A1
SCHEMBL3541664 0.88 SLC6A9 (0.41) SLC6A9HTR1AHTR3AALDH1A1MMP2
SCHEMBL3539027 0.85 MMP2 (0.50) SLC6A9HTR1AHTR3AMEN1KMT2A
SCHEMBL5744793 0.83 SLC6A9 (0.42) SLC6A9HTR1AHTR3AALDH1A1MEN1
SCHEMBL3545553 0.83 HTR1A (0.39) HTR1AHTR3APTGDR2MEN1KMT2A
Oxalic Acid SCHEMBL3539795 0.79 HTR1A (0.53) SLC6A9HTR1AHTR3AAKR1B1PTGDR2
SCHEMBL3543676 0.78 MAPK14 (0.40) HTR1AHTR3APTGDR2ALDH1A1MEN1
SCHEMBL3538233 0.78 DRD4 (0.35) HTR1AHTR3APTGDR2LMNAMAPT
SCHEMBL3544775 0.78 HTR1A (0.40) SLC6A9HTR1AHTR3APTGDR2ALDH1A1
SCHEMBL3548315 0.78 HTR1A (0.59) SLC6A9HTR1AHTR3AMEN1KMT2A

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 SLC6A9 1312/4885HTR1A 11/4885HTR3A 22/4885

“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.