SCHEMBL4288331

SCHEMBL4288331

CCS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.[H+]

nearest known ligand 0.98

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 20/20 0.98
CYP2D6 P10635 1/20 0.77

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
Hydrochloric Acid SCHEMBL1594244 1.00 NPY5R (0.98) NPY5RCYP2D6
SCHEMBL14276502 0.99 NPY5R (1.00) NPY5RCYP2D6
Hydrochloric Acid SCHEMBL1594246 0.98 NPY5R (0.98) NPY5RCYP2D6
Hydrochloric Acid SCHEMBL6451535 0.90 NPY5R (0.89) NPY5RCYP2D6
Hydrochloric Acid SCHEMBL1593332 0.89 NPY5R (0.98) NPY5RCYP2D6
SCHEMBL4298999 0.89 NPY5R (0.98) NPY5RCYP2D6
SCHEMBL14276489 0.88 NPY5R (0.80) NPY5RCYP2D6
SCHEMBL14276495 0.87 NPY5R (1.00) NPY5RCYP2D6
SCHEMBL4290066 0.87 NPY5R (1.00) NPY5RCYP2D6
Hydrochloric Acid SCHEMBL1593334 0.86 NPY5R (0.98) NPY5RCYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US disclosed
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2009-08-20 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-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R NPY5R 2/4885CYP2D6 4504/4885

“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.