SCHEMBL4853945

SCHEMBL4853945

COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 18/20 0.78
HTR6 P50406 2/20 0.70
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
ALOX15 P16050 1/20 0.69
KMT2A Q03164 1/20 0.69

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
SCHEMBL4853950 1.00 GHSR (0.78) GHSRHTR6KDM4EMEN1ALDH1A1
SCHEMBL4805341 0.89 GHSR (0.78) GHSRHTR6
SCHEMBL4805355 0.89 GHSR (0.78) GHSRHTR6
SCHEMBL4803843 0.89 GHSR (0.62) GHSRHTR6KDM4EMEN1ALDH1A1
SCHEMBL4803840 0.89 GHSR (0.62) GHSRHTR6KDM4EMEN1ALDH1A1
SCHEMBL4804429 0.88 GHSR (0.75) GHSR
SCHEMBL4803485 0.88 GHSR (0.85) GHSR
SCHEMBL4805223 0.88 GHSR (1.00) GHSR
SCHEMBL4803497 0.88 GHSR (0.85) GHSR
SCHEMBL4804436 0.88 GHSR (0.75) 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 1/4885HTR6 313/4885KDM4E 1938/4885

“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.