SCHEMBL3327322

SCHEMBL3327322

O=S(=O)(c1ccccc1OC(F)F)n1ccc2cc(C3CNC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.39
CYP3A4 P08684 2/20 0.39
FABP4 P15090 3/20 0.38
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD3 P35462 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
SCHEMBL3326299 0.86 FGFR4 (0.39) HTR6CYP3A4FABP4POLBL3MBTL1
SCHEMBL3325085 0.83 HTR6 (0.43) HTR6CYP3A4FABP4CHRM1DRD3
SCHEMBL3323360 0.81 HTR6 (0.44) HTR6CYP3A4POLBL3MBTL1DRD3
SCHEMBL3328133 0.81 HTR6 (0.46) HTR6CYP3A4POLBL3MBTL1DRD3
SCHEMBL3328464 0.81 HTR6 (0.42) HTR6FABP4
SCHEMBL3325153 0.80 HTR6 (0.43) HTR6CYP3A4FABP4CHRM1DRD3
SCHEMBL3328396 0.80 HTR6 (0.54) HTR6CYP3A4FABP4DRD3
Tert-Butyl Formate SCHEMBL27795702 0.80 FGFR4 (0.37) HTR6CYP3A4FABP4POLBL3MBTL1
Hydrochloric Acid SCHEMBL3327844 0.79 HTR6 (0.42) HTR6CYP3A4FABP4CHRM1DRD3
SCHEMBL3323432 0.79 HTR6 (0.45) HTR6CYP3A4FABP4POLBL3MBTL1

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 2 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

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 1/4885CYP3A4 398/4885FABP4 873/4885

“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.