SCHEMBL4801548

SCHEMBL4801548

COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 1.00
HTR6 P50406 11/20 0.75
HTR1A P08908 7/20 0.75
HTR1D P28221 7/20 0.75
HTR1B P28222 7/20 0.75
DRD2 P14416 6/20 0.75
ADRA1B P35368 6/20 0.75
DRD3 P35462 6/20 0.75
HTR2C P28335 5/20 0.75
HTR7 P34969 5/20 0.75
HTR4 Q13639 5/20 0.75
HTR2A P28223 5/20 0.75
DRD1 P21728 1/20 0.75
DRD4 P21917 1/20 0.75
HTR2B P41595 5/20 0.74
CYP1A2 P05177 1/20 0.74
ADRB1 P08588 1/20 0.74
CYP3A4 P08684 1/20 0.74
ADRA2A P08913 1/20 0.74
CYP2D6 P10635 1/20 0.74

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
SCHEMBL4801555 1.00 GHSR (1.00) GHSRHTR6HTR1AHTR1DHTR1B
SCHEMBL29386932 0.86 HTR6 (1.00) GHSRHTR6HTR1AHTR1DHTR1B
SCHEMBL194700 0.86 HTR6 (1.00) GHSRHTR6HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL6977773 0.85 HTR6 (1.00) GHSRHTR6HTR1AHTR1DHTR1B
SCHEMBL1136525 0.85 HTR6 (1.00) GHSRHTR6HTR1AHTR1DHTR1B
SCHEMBL29496144 0.85 HTR6 (1.00) GHSRHTR6HTR1AHTR1DHTR1B
SCHEMBL4801239 0.84 GHSR (0.81) GHSRHTR6HTR1AHTR1DHTR1B
SCHEMBL4796477 0.83 GHSR (0.73) GHSR
SCHEMBL4796467 0.83 GHSR (0.73) GHSR
SCHEMBL7197257 0.82 HTR6 (0.77) GHSRHTR6HTR1AHTR1DHTR1B

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 313/4885HTR1A 214/4885

“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.