SCHEMBL3547996

SCHEMBL3547996

COc1ccc(Sc2ccc(C)cc2Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.53
HTR3A P46098 2/20 0.53
ACHE P22303 1/20 0.45
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A9 P48067 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
IDO1 P14902 1/20 0.40
POLB P06746 2/20 0.40
AKR1B1 P15121 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL3547431 0.86 HTR1A (0.45) HTR1AHTR3AALDH1A1MAPTHPGD
SCHEMBL810329 0.80 ALDH1A1 (0.55) HTR1AHTR3AACHEALDH1A1MAPT
SCHEMBL5316082 0.79 HTR1A (0.52) HTR1AHTR3AACHEALDH1A1MAPT
SCHEMBL3537628 0.79 HTR1A (0.50) HTR1AHTR3AALDH1A1MAPTHPGD
SCHEMBL3542179 0.77 MEN1 (0.54) HTR1AHTR3ASLC6A9MEN1KMT2A
SCHEMBL3484650 0.76 ACHE (0.71) HTR1AHTR3AACHEALDH1A1MAPT
SCHEMBL7545112 0.75 HTR1A (0.48) HTR1AHTR3AACHEALDH1A1MAPT
SCHEMBL810656 0.74 TDP1 (0.58) HTR1AHTR3AALDH1A1MAPTHPGD
SCHEMBL6922343 0.73 ALDH1A1 (0.39) HTR1AHTR3AALDH1A1MAPTHPGD
SCHEMBL8736422 0.72 ACHE (0.48) HTR1AHTR3AACHEALDH1A1MAPT

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 22/4885ACHE 2810/4885

“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.