SCHEMBL965501

SCHEMBL965501

CCOC(=O)CNc1cc(N2CCC(F)(F)CC2)cc(CSc2cn(C)c(C)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 19/20 0.47
KCNH2 Q12809 2/20 0.47
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1004698 0.83 NPY1R (0.43) NPY1RKCNH2
SCHEMBL13011973 0.79 NPY1R (0.44) NPY1RKCNH2
SCHEMBL964477 0.79
SCHEMBL962894 0.72 NPY1R (0.45) NPY1RKCNH2
SCHEMBL965683 0.72
SCHEMBL961075 0.71 NPY1R (0.47) NPY1RKCNH2
SCHEMBL961000 0.70 NPY1R (0.57) NPY1RKCNH2
SCHEMBL962368 0.69 NPY1R (0.43) NPY1RKCNH2
SCHEMBL503769 0.67 KCNH2 (0.33) NPY1RKCNH2
SCHEMBL962520 0.67 NPY1R (0.43) NPY1RKCNH2

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 3 patents. 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
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
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 1295/4885TP53 4855/4885

“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.