SCHEMBL5020032

SCHEMBL5020032

CC(C)C(=O)N1CCC(C)(F)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
SPR P35270 1/20 0.42
DPP7 Q9UHL4 1/20 0.41
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
CCR1 P32246 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
PIK3R1 P27986 3/20 0.32
PIK3CA P42336 3/20 0.32
AOC2 O75106 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PLD2 O14939 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
SCHEMBL5020028 0.89 DPP4 (0.39) DPP4DPP8DPP9SPRDPP7
SCHEMBL25446997 0.88 CHRNB2 (0.38) DPP4DPP8DPP9SPRDPP7
SCHEMBL2739927 0.84 DPP4 (0.54) DPP4DPP8DPP9DPP7CHRNB2
SCHEMBL13819990 0.84 CHRNB2 (0.41) DPP4DPP8DPP9SPRDPP7
SCHEMBL17177185 0.82 CHRNB2 (0.39) DPP4SPRDPP7CHRNB2CHRNA3
SCHEMBL25978927 0.80 DPP4 (0.38) DPP4DPP8DPP9DPP7CHRNB2
SCHEMBL2739925 0.79 DPP4 (0.41) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL20470739 0.78 CHRNB2 (0.37) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL16219012 0.78 CHRNB2 (0.37) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL20470815 0.78 CHRNB2 (0.37) DPP4DPP7CHRNB2CHRNA3CHRNA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268862-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-20110152254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-02 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 (3 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-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 DPP4 1525/4885DPP8 1232/4885DPP9 1080/4885
US-20110152254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 DPP4 1525/4885DPP8 1232/4885DPP9 1080/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 DPP4 1525/4885DPP8 1232/4885DPP9 1080/4885

“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.