SCHEMBL3328464

SCHEMBL3328464

CC(C)(C)OC(=O)N1CC(c2ccc3c(ccn3S(=O)(=O)c3ccccc3OC(F)F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.42
FABP4 P15090 3/20 0.39
PDE4B Q07343 6/20 0.38
BCHE P06276 1/20 0.38
MET P08581 1/20 0.38
RORC P51449 1/20 0.37
TNF P01375 1/20 0.35
PDE4D Q08499 1/20 0.35
USP30 Q70CQ3 1/20 0.35
NR1H2 P55055 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL3327854 0.89 HTR6 (0.42) HTR6FABP4PDE4BBCHEMET
SCHEMBL3327961 0.85 BRD4 (0.40) HTR6PDE4BBCHERORCNR1H2
SCHEMBL3328878 0.85 HDAC1 (0.41) HTR6PDE4BBCHE
SCHEMBL3327005 0.85 NR1H2 (0.44) HTR6FABP4PDE4BMETRORC
SCHEMBL3327338 0.84 HTR6 (0.49) HTR6FABP4BCHERORC
SCHEMBL3327322 0.81 HTR6 (0.39) HTR6FABP4
SCHEMBL28623603 0.79 HTR6 (0.44) HTR6FABP4PDE4BBCHENR1H2
SCHEMBL3325189 0.79 AKR1C3 (0.40) HTR6BCHERORCNR1H2
SCHEMBL3326736 0.79 HTR6 (0.46) HTR6PDE4BBCHE
SCHEMBL3325097 0.78 HTR6 (0.50) HTR6BCHERORC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507469-B2 Azetidin compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-08-13 US disclosed
US-20100137280-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-06-03 US disclosed
EP-2155724-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-02-24 EP disclosed
WO-2008116833-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2008-10-02 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-20100137280-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR4, HTR3C HTR6 1/4885FABP4 873/4885PDE4B 3245/4885

“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.