SCHEMBL4801239

SCHEMBL4801239

COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 17/20 0.81
HTR6 P50406 2/20 0.57
CMA1 P23946 1/20 0.56
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
DRD1 P21728 1/20 0.56
DRD4 P21917 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR7 P34969 1/20 0.56
ADRA1B P35368 1/20 0.56
DRD3 P35462 1/20 0.56
HTR4 Q13639 1/20 0.56

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
SCHEMBL4799787 0.90 GHSR (1.00) GHSR
SCHEMBL4799777 0.90 GHSR (1.00) GHSR
SCHEMBL4801548 0.84 GHSR (1.00) GHSRHTR6HTR1ADRD2DRD1
SCHEMBL4801555 0.84 GHSR (1.00) GHSRHTR6HTR1ADRD2DRD1
SCHEMBL4802967 0.82 GHSR (1.00) GHSR
SCHEMBL4802962 0.82 GHSR (1.00) GHSR
SCHEMBL4799854 0.78 GHSR (0.80) GHSR
SCHEMBL4799840 0.78 GHSR (0.80) GHSR
SCHEMBL4801313 0.77 GHSR (0.88) GHSR
SCHEMBL4801306 0.77 GHSR (0.88) 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 313/4885CMA1 661/4885

“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.