SCHEMBL3286393

SCHEMBL3286393

CNCCCCN1Cc2cc(Cl)ccc2N(c2ccccc2Cl)S1(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.52
SLC6A4 P31645 7/20 0.51
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
DRD4 P21917 1/20 0.36
CYP3A4 P08684 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NFKB1 P19838 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3286693 0.92 SLC6A2 (0.51) SLC6A2SLC6A4DRD2DRD3CYP3A4
SCHEMBL3287090 0.90 SLC6A2 (0.57) SLC6A2SLC6A4DRD2DRD3CYP3A4
SCHEMBL3293127 0.90 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3
SCHEMBL3288730 0.90 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3
SCHEMBL3285411 0.88 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3
SCHEMBL3286395 0.88 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3
SCHEMBL3291523 0.87 SLC6A2 (0.47) SLC6A2SLC6A4DRD2DRD3DRD4
SCHEMBL13325519 0.85 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3
SCHEMBL3286277 0.84 SLC6A2 (0.54) SLC6A2SLC6A4
SCHEMBL3286312 0.83 SLC6A2 (0.51) SLC6A2SLC6A4CYP3A4

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-7718652-B2 Substituted benzothiadiazinedioxide derivatives and methods of their use WYETH LLC (US) 2010-05-18 US claimed
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US claimed
US-7718652-B2 Substituted benzothiadiazinedioxide derivatives and methods of their use WYETH LLC (US) 2010-05-18 US disclosed
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A2, SLC6A4, DBH SLC6A2 1/4885SLC6A4 2/4885DRD2 83/4885

“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.