SCHEMBL2739925

SCHEMBL2739925

CC(C)C(=O)N1CCC(F)(F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
EPHX2 P34913 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MTNR1B P49286 1/20 0.35
PDK2 Q15119 1/20 0.34
CYP1A2 P05177 2/20 0.33
PDE9A O76083 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
VNN1 O95497 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2739927 0.87 DPP4 (0.54) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL25446997 0.87 CHRNB2 (0.38) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL27390228 0.85 DPP4 (0.38) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL16886278 0.84 CHRNB2 (0.36) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL19755878 0.82 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21028193 0.82 CYP1A2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25815899 0.81 DPP4 (0.38) DPP4DPP7EPHX2MEN1ALDH1A1
SCHEMBL18212339 0.81 CHRNB2 (0.34) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL12259449 0.80 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13751427 0.80 CHRNB2 (0.39) DPP4CHRNB2CHRNA3CHRNA4CHRNB3

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026479-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-11584756-B2 Heterocyclic compounds as BET inhibitors NUVATION BIO INC. (US) 2023-02-21 US disclosed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 US disclosed
US-20090012080-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
US-7345178-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 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 (12 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-20090012080-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 DPP4 1525/4885DPP7 1512/4885CHRNB2 3635/4885
US-11584756-B2 Heterocyclic compounds as BET inhibitors BET1, BRD4, BRD3 DPP4 3146/4885DPP7 2454/4885CHRNB2 2784/4885
US-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 DPP4 1525/4885DPP7 1512/4885CHRNB2 3635/4885
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 DPP4 1992/4885DPP7 986/4885CHRNB2 2017/4885
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R DPP4 3830/4885DPP7 2096/4885CHRNB2 4733/4885
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R DPP4 3830/4885DPP7 2096/4885CHRNB2 4733/4885
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 DPP4 3146/4885DPP7 2454/4885CHRNB2 2784/4885
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRT1, SIRT3, SIRT2 DPP4 603/4885DPP7 440/4885CHRNB2 3277/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 DPP4 1889/4885DPP7 984/4885CHRNB2 2021/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 DPP4 1230/4885DPP7 880/4885CHRNB2 3689/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP DPP4 3183/4885DPP7 2366/4885CHRNB2 4666/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 DPP4 1230/4885DPP7 880/4885CHRNB2 3689/4885

“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.