SCHEMBL963022

SCHEMBL963022

Cc1nc(CC(O)c2cc(N3CCSCC3)cc(NCC(F)(F)F)n2)oc1C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 18/20 0.45
KCNH2 Q12809 7/20 0.45
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL960140 0.88 NPY1R (0.44) NPY1RKCNH2HRH4
SCHEMBL964657 0.81 NPY1R (0.69) NPY1RKCNH2
SCHEMBL963970 0.80 KCNH2 (0.55) NPY1RKCNH2HRH4
SCHEMBL12914802 0.72 KCNH2 (0.48) NPY1RKCNH2
SCHEMBL959682 0.65 NPY1R (0.46) NPY1RKCNH2HRH4
SCHEMBL961075 0.65 NPY1R (0.47) NPY1RKCNH2
SCHEMBL1004424 0.64 NPY1R (0.71) NPY1RKCNH2
SCHEMBL1004422 0.64 NPY1R (0.59) NPY1RKCNH2
SCHEMBL964224 0.64 NPY1R (0.75) NPY1RKCNH2
SCHEMBL13688223 0.60 NPY1R (0.42) NPY1RKCNH2HRH4

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 8 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 claimed
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP claimed
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
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed
WO-2009110510-A1 ALKYLAMINOPYRIDINE DERIVATIVE 萬有製薬株式会社 (JP) 2009-09-11 WO 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 1295/4885HRH4 40/4885

“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.