SCHEMBL3286830

SCHEMBL3286830

CNCCCCN1Cc2cc(C#N)ccc2N(c2ccccc2)S1(=O)=O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.66
SLC6A4 P31645 9/20 0.66
SLC6A3 Q01959 2/20 0.43

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
SCHEMBL13359650 0.97 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3
SCHEMBL3286827 0.89 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL3291525 0.87 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL3286857 0.87 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3
SCHEMBL3294833 0.86 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3
SCHEMBL3285470 0.85 SLC6A2 (0.62) SLC6A2SLC6A4
SCHEMBL3288900 0.84 SLC6A2 (0.79) SLC6A2SLC6A4SLC6A3
SCHEMBL3285414 0.84 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3
SCHEMBL13359666 0.84 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3
SCHEMBL13359651 0.84 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3

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-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-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
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 2/4885SLC6A3 4/4885

“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.