SCHEMBL5020028

SCHEMBL5020028

CC(C)C(=O)N1CCCC(C)(F)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.39
DPP7 Q9UHL4 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
SPR P35270 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
CYP2C9 P11712 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
LIPE Q05469 1/20 0.34
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
HPGD P15428 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
SCHEMBL5020032 0.89 DPP4 (0.45) DPP4DPP7DPP8DPP9SPR
SCHEMBL2739928 0.85 DPP4 (0.47) DPP4DPP7DPP8DPP9CHRNB2
SCHEMBL21028177 0.83 LIPE (0.46) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL13819990 0.81 CHRNB2 (0.41) DPP4DPP7DPP8DPP9SPR
SCHEMBL16750122 0.80 VNN1 (0.38) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL15128218 0.79 CYP3A4 (0.42) SPRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL30143045 0.79 SPR (0.37) SPRCYP2C9ALDH1A1CYP1A2CYP2D6
SCHEMBL18559490 0.79 CHRNB2 (0.34) DPP4DPP7DPP8DPP9CHRNB2
SCHEMBL25446997 0.77 CHRNB2 (0.38) DPP4DPP7DPP8DPP9SPR
SCHEMBL2739927 0.77 DPP4 (0.54) DPP4DPP7DPP8DPP9CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
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
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 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 (5 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 1525/4885DPP7 1512/4885DPP8 1232/4885
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 DPP4 532/4885DPP7 514/4885DPP8 619/4885
US-20110152254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 DPP4 1525/4885DPP7 1512/4885DPP8 1232/4885
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 DPP4 3146/4885DPP7 2454/4885DPP8 1944/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 DPP4 1525/4885DPP7 1512/4885DPP8 1232/4885

“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.