SCHEMBL1005218

SCHEMBL1005218

O=S1(=O)CCN(c2cc(CCl)nc(NCC(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.45
KCNH2 Q12809 3/20 0.45
HRH4 Q9H3N8 4/20 0.39
ZAP70 P43403 1/20 0.35
ABHD6 Q9BV23 1/20 0.33
ACHE P22303 1/20 0.32
RORC P51449 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SOS1 Q07889 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1005217 0.89 NPY1R (0.45) NPY1RKCNH2HRH4ZAP70
SCHEMBL1002610 0.88 NPY1R (0.45) NPY1RKCNH2HRH4ZAP70ABHD6
SCHEMBL1002609 0.80 NPY1R (0.45) NPY1RKCNH2HRH4ZAP70
SCHEMBL1001850 0.77 NPY1R (0.57) NPY1RKCNH2
SCHEMBL1004424 0.77 NPY1R (0.71) NPY1RKCNH2
SCHEMBL1005110 0.77 NPY1R (0.49) NPY1RKCNH2HRH4
SCHEMBL1003185 0.75 NPY1R (0.61) NPY1RKCNH2
SCHEMBL1003570 0.75 NPY1R (0.55) NPY1RKCNH2
SCHEMBL13688206 0.72 NPY1R (0.47) NPY1RKCNH2HRH4ZAP70
SCHEMBL1001849 0.69 NPY1R (0.57) 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 4 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
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP 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.