SCHEMBL3328391

SCHEMBL3328391

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.55
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 5/20 0.49
MAOB P27338 4/20 0.47
RORC P51449 1/20 0.45
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
KDM2B Q8NHM5 1/20 0.44
KCNH2 Q12809 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41

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
SCHEMBL3326317 0.88 HTR6 (0.55) HTR6DRD3HRH3KDM1AKDM1B
SCHEMBL3326267 0.82 HTR6 (0.78) HTR6DRD3HRH3KDM1AKDM1B
SCHEMBL3325030 0.81 KDM1A (0.62) HTR6DRD3HRH3KDM1AKDM1B
SCHEMBL3328133 0.75 HTR6 (0.46) HTR6DRD3RORCKDM2B
SCHEMBL3327909 0.74 RORC (0.49) HTR6RORCKDM2BAKR1C3
SCHEMBL3327032 0.73 HTR6 (0.43) HTR6RORC
SCHEMBL4193411 0.72 HDAC3 (0.52) RORC
SCHEMBL4200550 0.71 HDAC3 (0.46)
SCHEMBL3326066 0.69 BRD4 (0.43) HTR6RORCKDM2B
Tert-Butyl Formate SCHEMBL27774752 0.69 HTR6 (0.42) HTR6RORCKDM2B

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 HTR6 1/4885DRD3 35/4885HRH3 110/4885

“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.