SCHEMBL962706

SCHEMBL962706

CC(C)(C)OC(=O)Nc1cc(N2CCCCCC2)cc(COC2CCCCO2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
KCNH2 Q12809 1/20 0.35
CREBBP Q92793 2/20 0.34
EP300 Q09472 1/20 0.34
CNR2 P34972 7/20 0.34
GCK P35557 1/20 0.34
CNR1 P21554 4/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
PTK6 Q13882 1/20 0.33
MTOR P42345 1/20 0.33
NAMPT P43490 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
NR1I3 Q14994 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL113716 0.94 KCNH2 (0.41) KCNH2CREBBPEP300CNR2MTOR
SCHEMBL113428 0.94 KCNH2 (0.36) OPRM1OPRD1OGFRL1KCNH2CREBBP
SCHEMBL111995 0.92 CNR2 (0.34) OPRM1OPRD1OGFRL1KCNH2CREBBP
SCHEMBL113359 0.90 ALOX5AP (0.34) OPRM1OPRD1OGFRL1KCNH2CREBBP
SCHEMBL114808 0.85 CREBBP (0.36) OPRM1OPRD1OGFRL1CREBBPEP300
SCHEMBL7012955 0.84 KCNH2 (0.35) KCNH2CREBBPEP300MTOR
SCHEMBL7014486 0.81 KCNH2 (0.39) KCNH2CREBBPEP300GCKKDM4C
SCHEMBL163419 0.80 KCNH2 (0.37) KCNH2CREBBPEP300CNR2GCK
SCHEMBL113696 0.78 MEN1 (0.34) CREBBPEP300GCKL3MBTL1KDM4C
SCHEMBL112857 0.78 PTGER1 (0.41) CREBBPEP300KDM4C

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 2 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
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 OPRM1 72/4885OPRD1 62/4885OGFRL1 99/4885

“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.