SCHEMBL960171

SCHEMBL960171

CCc1oc(CCc2cc(N3CCOC(C)C3)cc(N(CCOC)C(=O)OC(C)(C)C)n2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.46
NPY1R P25929 9/20 0.46
PIK3CB P42338 1/20 0.33
SYK P43405 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
SCHEMBL962751 0.85 KCNH2 (0.42) KCNH2NPY1R
SCHEMBL963713 0.85 KCNH2 (0.41) KCNH2NPY1R
SCHEMBL962739 0.84 KCNH2 (0.45) KCNH2NPY1R
SCHEMBL964437 0.78 KCNH2 (0.56) KCNH2NPY1R
SCHEMBL962684 0.76 NPY1R (0.78) KCNH2NPY1RSYK
SCHEMBL965558 0.75 KCNH2 (0.35) KCNH2NPY1R
SCHEMBL959741 0.74 L3MBTL1 (0.35) KCNH2NPY1R
SCHEMBL3410009 0.71 KCNH2 (0.50) KCNH2NPY1RPIK3CB
SCHEMBL960822 0.68 KCNH2 (0.77) KCNH2NPY1R
SCHEMBL963131 0.65 KCNH2 (0.42) KCNH2NPY1RPIK3CB

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 KCNH2 1295/4885NPY1R 2/4885PIK3CB 3790/4885

“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.