SCHEMBL3323099

SCHEMBL3323099

O=S(=O)(c1ccccc1)n1ccc2cc(C3CNC3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.58
CYP3A4 P08684 1/20 0.55
DRD3 P35462 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49

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
Tert-Butyl Formate SCHEMBL27774772 0.88 HTR6 (0.49) HTR6CYP3A4DRD3MEN1KMT2A
SCHEMBL3326984 0.88 HTR6 (0.49) HTR6CYP3A4DRD3MEN1KMT2A
SCHEMBL3327051 0.88 HTR6 (0.45) HTR6CYP3A4DRD3POLBL3MBTL1
SCHEMBL3327289 0.88 HTR6 (0.48) HTR6CYP3A4DRD3MEN1KMT2A
SCHEMBL3331201 0.88 HTR6 (0.51) HTR6CYP3A4DRD3POLBL3MBTL1
SCHEMBL3328145 0.87 HTR6 (0.59) HTR6CYP3A4DRD3DRD2
SCHEMBL3323074 0.84 HTR6 (0.56) HTR6CYP3A4DRD3HTTPOLB
SCHEMBL3327989 0.84 HTR6 (0.60) HTR6CYP3A4DRD3MEN1KMT2A
SCHEMBL3323432 0.83 HTR6 (0.45) HTR6CYP3A4DRD3POLBL3MBTL1
SCHEMBL3325085 0.83 HTR6 (0.43) HTR6CYP3A4DRD3

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 1/4885CYP3A4 398/4885DRD3 35/4885

“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.