SCHEMBL3328057

SCHEMBL3328057

CC(C)(C)OC(=O)N1CC(c2cnc3c(ccn3S(=O)(=O)c3cccc(OC(F)F)c3)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
FGFR4 P22455 7/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
HTR6 P50406 2/20 0.36
PRMT5 O14744 1/20 0.36
BCHE P06276 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
RORC P51449 4/20 0.35
KDM2B Q8NHM5 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL3327691 0.87 CYP2C19 (0.45) HTR6PRMT5BCHERORCGPR119
SCHEMBL3327961 0.86 BRD4 (0.40) BRD4HTR6BCHERORC
SCHEMBL3326066 0.82 BRD4 (0.43) BRD4FGFR4FGFR1FGFR2FGFR3
SCHEMBL3327330 0.80 RORC (0.43) HTR6RORCKDM2BGPR119
SCHEMBL3325189 0.78 AKR1C3 (0.40) FGFR4HTR6BCHERORC
SCHEMBL3328878 0.77 HDAC1 (0.41) HTR6BCHEGPR119
SCHEMBL27795727 0.73 CYP2C19 (0.45) FGFR4HTR6
SCHEMBL3325097 0.72 HTR6 (0.50) HTR6BCHERORC
SCHEMBL3327338 0.72 HTR6 (0.49) HTR6BCHERORC
SCHEMBL3328464 0.72 HTR6 (0.42) 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 BRD4 1596/4885FGFR4 1441/4885FGFR1 1050/4885

“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.