Sugi Predict

Sugi Predict / Compounds / SCHEMBL4805341

SCHEMBL4805341

SCHEMBL4805341

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

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 19/20 0.78
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ HTR1A P08908 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ DRD2 P14416 1/20 0.69
▸ HTR1D P28221 1/20 0.69
▸ HTR1B P28222 1/20 0.69
▸ HTR2A P28223 1/20 0.69
▸ HTR2C P28335 1/20 0.69
▸ HTR1E P28566 1/20 0.69
▸ HTR1F P30939 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ HTR7 P34969 1/20 0.69
▸ ADRA1B P35368 1/20 0.69
▸ DRD3 P35462 1/20 0.69
▸ HTR2B P41595 1/20 0.69
▸ HTR6 P50406 1/20 0.69
▸ HTR4 Q13639 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
SCHEMBL4805355 1.00 GHSR (0.78) GHSRCYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL4853945 0.89 GHSR (0.78) GHSRHTR6
SCHEMBL4853950 0.89 GHSR (0.78) GHSRHTR6
SCHEMBL4803045 0.88 GHSR (1.00) GHSR
SCHEMBL4803055 0.88 GHSR (1.00) GHSR
SCHEMBL4804429 0.88 GHSR (0.75) GHSR
SCHEMBL4803497 0.88 GHSR (0.85) GHSR
SCHEMBL4803485 0.88 GHSR (0.85) GHSR
SCHEMBL4798046 0.88 GHSR (0.85) GHSR
SCHEMBL4805223 0.88 GHSR (1.00) 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 8 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-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 — — US disclosed
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
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 — — 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 1/4885CYP1A2 694/4885CYP3A4 1520/4885

“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.