SCHEMBL961269

SCHEMBL961269

Cc1nc(SCc2cc(N3CCOCC3)cc(NC(=O)OC(C)(C)C)n2)cn1C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 18/20 0.43
KCNH2 Q12809 4/20 0.43
BRD4 O60885 1/20 0.40

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
SCHEMBL960914 0.83 NPY1R (0.64) NPY1RKCNH2
SCHEMBL960114 0.83 NPY1R (0.64) NPY1RKCNH2BRD4
SCHEMBL962875 0.81 NPY1R (0.64) NPY1RKCNH2
SCHEMBL7016153 0.80 KCNH2 (0.48) NPY1RKCNH2BRD4
SCHEMBL12946506 0.80 KCNH2 (0.48) NPY1RKCNH2BRD4
SCHEMBL961779 0.80 NPY1R (0.65) NPY1RKCNH2
SCHEMBL7012960 0.79 NPY1R (0.46) NPY1RKCNH2BRD4
SCHEMBL961000 0.79 NPY1R (0.57) NPY1RKCNH2
SCHEMBL962901 0.78 NPY1R (0.57) NPY1RKCNH2
SCHEMBL7018612 0.77 KCNH2 (0.49) NPY1RKCNH2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 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-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE NPY4R, NPY1R, NPY2R NPY1R 2/4885KCNH2 1295/4885BRD4 115/4885

“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.