SCHEMBL4800765

SCHEMBL4800765

CC1CN(c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)CC(C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 1.00
HTR1A P08908 1/20 0.67
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
HTR7 P34969 1/20 0.67
DRD3 P35462 1/20 0.67
HTR6 P50406 1/20 0.67
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PKM P14618 1/20 0.50
PKLR P30613 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL4800759 1.00 GHSR (1.00) GHSRHTR1AHTR2AHTR2CHTR7
SCHEMBL4796360 0.83 GHSR (1.00) GHSR
SCHEMBL4796354 0.83 GHSR (1.00) GHSR
SCHEMBL4801005 0.82 GHSR (1.00) GHSR
SCHEMBL4800996 0.82 GHSR (1.00) GHSR
SCHEMBL7089949 0.81 HTR2C (1.00) GHSRHTR1AHTR2AHTR2CHTR7
SCHEMBL4804730 0.80 GHSR (1.00) GHSR
SCHEMBL4804715 0.80 GHSR (1.00) GHSR
SCHEMBL4803891 0.80 GHSR (1.00) GHSR
SCHEMBL4803881 0.80 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 6 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
EP-1778679-A1 PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-02 EP claimed
WO-2006010629-A1 PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 2006-02-02 WO 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 1/4885HTR1A 214/4885HTR2A 133/4885

“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.