SCHEMBL4802487

SCHEMBL4802487

COc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1N1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 19/20 0.76
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL4802498 1.00 GHSR (0.76) GHSRLMNAHTTSMN1; SMN2
SCHEMBL4802229 0.86 GHSR (1.00) GHSR
SCHEMBL4801357 0.85 GHSR (1.00) GHSR
SCHEMBL4801347 0.85 GHSR (1.00) GHSR
SCHEMBL4802381 0.84 GHSR (1.00) GHSR
SCHEMBL6971169 0.84 HTR6 (0.66) GHSRLMNAHTTSMN1; SMN2
SCHEMBL4804609 0.83 GHSR (0.79) GHSR
SCHEMBL4801592 0.83 GHSR (1.00) GHSR
SCHEMBL4801589 0.83 GHSR (1.00) GHSR
SCHEMBL4804602 0.83 GHSR (0.79) GHSR

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-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 US claimed
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 US claimed
US-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 US disclosed
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 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-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GHSR, GHRHR, GIPR GHSR 1/4885LMNA 4445/4885HTT 1562/4885

“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.