SCHEMBL3544217

SCHEMBL3544217

Cc1ccc(Sc2ccc(F)cc2C)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HAO1 Q9UJM8 1/20 0.37
HTR1A P08908 10/20 0.37
HTR3A P46098 10/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACHE P22303 2/20 0.35
CYP1A2 P05177 2/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 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
SCHEMBL3541380 0.93 HAO1 (0.41) SLC6A4SLC6A2SLC6A3HAO1HTR1A
SCHEMBL3538549 0.87 HAO1 (0.46) SLC6A4HAO1HTR1AHTR3ALMNA
SCHEMBL576125 0.83 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3HAO1HTR1A
SCHEMBL3546088 0.83 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3HTR1AHTR3A
SCHEMBL3547722 0.80 ATM (0.42) SLC6A4SLC6A2SLC6A3HTR1AHTR3A
SCHEMBL3546034 0.79 HAO1 (0.42) SLC6A4HAO1HTR1AHTR3ALMNA
SCHEMBL3544118 0.77 HTR1A (0.44) SLC6A4SLC6A2SLC6A3HTR1AHTR3A
SCHEMBL3538930 0.76 KIF11 (0.41) SLC6A4SLC6A2SLC6A3HAO1HTR1A
SCHEMBL29966159 0.75 HTR1A (0.51) SLC6A4SLC6A2SLC6A3HAO1HTR1A
SCHEMBL1720513 0.75 HTR1A (0.51) SLC6A4SLC6A2SLC6A3HAO1HTR1A

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 3 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

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 SLC6A4 14/4885SLC6A2 84/4885SLC6A3 61/4885

“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.