SCHEMBL3326317

SCHEMBL3326317

O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCc2cc(C3CNC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.55
CYP11B1 P15538 4/20 0.54
CYP11B2 P19099 3/20 0.54
DRD3 P35462 7/20 0.51
HRH3 Q9Y5N1 2/20 0.51
KDM1A O60341 6/20 0.49
KDM1B Q8NB78 6/20 0.49
MAOA P21397 4/20 0.49
MAOB P27338 3/20 0.47
KDM2B Q8NHM5 1/20 0.44
RORC P51449 1/20 0.44
NR1H3 Q13133 1/20 0.44
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3328391 0.88 HTR6 (0.55) HTR6CYP11B1CYP11B2DRD3HRH3
SCHEMBL3325030 0.85 KDM1A (0.62) HTR6CYP11B1CYP11B2DRD3HRH3
SCHEMBL3326267 0.82 HTR6 (0.78) HTR6DRD3HRH3KDM1AKDM1B
SCHEMBL3326162 0.75 HTR6 (0.46) HTR6DRD3
SCHEMBL19640868 0.72 AKR1C3 (0.58) HTR6CYP11B1CYP11B2KDM2BRORC
SCHEMBL20757498 0.72 HTR2C (0.44)
SCHEMBL4196434 0.71 BRAF (0.53) DRD3RORCKCNH2
Tert-Butyl Formate SCHEMBL27774753 0.69 HTR6 (0.42) HTR6KDM2B
SCHEMBL25145662 0.69 PKM (0.55) CYP11B1CYP11B2KDM2B
SCHEMBL21382019 0.69 HCRTR2 (0.41) DRD3

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 6 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
CN-101679381-A Azetidin compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO KG 2010-03-24 CN 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
CN-101679381-A Azetidin compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO KG 2010-03-24 CN 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 1/4885CYP11B1 482/4885CYP11B2 549/4885

“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.