SCHEMBL3327294

SCHEMBL3327294

CCCN1CC(c2ccc3c(ccn3S(=O)(=O)c3cccc(OC(F)F)c3)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.42
BRD4 O60885 1/20 0.42
HTR6 P50406 9/20 0.42
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RORC P51449 1/20 0.40
DRD2 P14416 4/20 0.39
DRD3 P35462 3/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL3327304 0.90 HTR6 (0.43) KDM2BHTR6POLBL3MBTL1
SCHEMBL3325141 0.89 HTR6 (0.46) KDM2BHTR6CYP3A4POLBL3MBTL1
SCHEMBL3328133 0.85 HTR6 (0.46) KDM2BBRD4HTR6CYP3A4POLB
SCHEMBL3327961 0.83 BRD4 (0.40) BRD4HTR6CYP3A4POLBL3MBTL1
SCHEMBL3323935 0.83 HTR6 (0.56) HTR6CYP3A4POLBL3MBTL1DRD2
SCHEMBL3326343 0.82 HTR6 (0.62) KDM2BHTR6RORCDRD2DRD3
Tert-Butyl Formate SCHEMBL27774752 0.79 HTR6 (0.42) KDM2BBRD4HTR6CYP3A4POLB
SCHEMBL3325839 0.76 HTR6 (0.55) HTR6CYP3A4POLBL3MBTL1DRD3
SCHEMBL3325189 0.74 AKR1C3 (0.40) HTR6CYP3A4POLBL3MBTL1RORC
SCHEMBL27774751 0.74 PPARG (0.39) KDM2BHTR6CYP3A4POLBL3MBTL1

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 claimed
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 claimed
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 KDM2B 3502/4885BRD4 1596/4885HTR6 1/4885

“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.