SCHEMBL3325030

SCHEMBL3325030

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.62
KDM1B Q8NB78 5/20 0.62
MAOA P21397 3/20 0.62
MAOB P27338 3/20 0.62
HTR6 P50406 4/20 0.58
DRD3 P35462 6/20 0.53
HRH3 Q9Y5N1 2/20 0.53
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
RORC P51449 4/20 0.48
NR1H3 Q13133 1/20 0.48
MAPT P10636 1/20 0.45
CPT2 P23786 1/20 0.44
CPT1A P50416 1/20 0.44
CPT1B Q92523 1/20 0.44
KCNH2 Q12809 1/20 0.44

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 0.85 HTR6 (0.55) KDM1AKDM1BMAOAMAOBHTR6
SCHEMBL3326267 0.84 HTR6 (0.78) KDM1AKDM1BMAOAMAOBHTR6
SCHEMBL3328391 0.81 HTR6 (0.55) KDM1AKDM1BMAOAMAOBHTR6
SCHEMBL21114632 0.77 KDM1A (1.00) KDM1AKDM1BMAOAMAOBKCNH2
SCHEMBL19725537 0.77 KDM1A (1.00) KDM1AKDM1BMAOAMAOBKCNH2
SCHEMBL29683184 0.77 KDM1A (1.00) KDM1AKDM1BMAOAMAOBKCNH2
SCHEMBL14601695 0.76 CYP11B1 (0.52) KDM1AKDM1BMAOAMAOBHTR6
SCHEMBL3323074 0.74 HTR6 (0.56) HTR6DRD3RORC
SCHEMBL24286525 0.73 KMT2A (0.67) CYP11B1CYP11B2NR1H3MAPTCPT2
SCHEMBL19023863 0.71 CYP11B1 (0.58) KDM1AKDM1BMAOAMAOBHRH3

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 KDM1A 2881/4885KDM1B 2630/4885MAOA 449/4885

“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.