SCHEMBL2739930

SCHEMBL2739930

CC(C)C(=O)N1CC(F)(F)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.48
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
DPP7 Q9UHL4 2/20 0.36
PIK3CD O00329 1/20 0.31
NOTUM Q6P988 1/20 0.31
RORC P51449 1/20 0.31
RIPK1 Q13546 1/20 0.31
MTNR1B P49286 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDK2 Q15119 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
SCHEMBL13819990 0.86 CHRNB2 (0.41) DPP4CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL2739927 0.82 DPP4 (0.54) DPP4CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25447885 0.82 CHRNB2 (0.38) DPP4CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL18016219 0.82 CHRNB2 (0.45) DPP4CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL26775895 0.81 DPP4 (0.55) DPP4DPP7
SCHEMBL14737113 0.81 DPP4 (0.55) DPP4DPP7
SCHEMBL14737115 0.81 DPP4 (0.55) DPP4DPP7
SCHEMBL13819919 0.80 CHRNB2 (0.43) DPP4CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL2739928 0.79 DPP4 (0.47) DPP4CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25447005 0.79 CHRNB2 (0.36) 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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed
US-20230151027-A1 SPIROCYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2023-05-18 US disclosed
WO-2023027948-A1 JAK2 INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
US-11130769-B2 Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein PRELUDE THERAPEUTICS, INCORPORATED (US) 2021-09-28 US disclosed
US-11034660-B2 Hydrazide containing nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2021-06-15 US disclosed
US-20200339521-A1 HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2020-10-29 US disclosed
US-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 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
WO-2007047496-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-26 WO disclosed
US-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 US 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-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-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

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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E DPP4 463/4885CHRNB2 1900/4885CHRNA3 1762/4885
US-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 DPP4 3765/4885CHRNB2 3189/4885CHRNA3 3424/4885
US-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT DPP4 1318/4885CHRNB2 4483/4885CHRNA3 4269/4885
US-20200339521-A1 HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, KPNA1, ABCB11 DPP4 2337/4885CHRNB2 3401/4885CHRNA3 2610/4885
US-20090012080-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 DPP4 1525/4885CHRNB2 3635/4885CHRNA3 3432/4885
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 1992/4885CHRNB2 2017/4885CHRNA3 3116/4885
US-11130769-B2 Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein MCL1, BCL2A1, BCL2L1 DPP4 4838/4885CHRNB2 4868/4885CHRNA3 4866/4885
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 603/4885CHRNB2 3277/4885CHRNA3 2981/4885
US-20230151027-A1 SPIROCYCLIC INHIBITORS OF HEPATITIS B VIRUS HAVCR2, SLC10A1, NR1H4 DPP4 1086/4885CHRNB2 4863/4885CHRNA3 4755/4885
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 1889/4885CHRNB2 2021/4885CHRNA3 3069/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 DPP4 1230/4885CHRNB2 3689/4885CHRNA3 3873/4885
US-11034660-B2 Hydrazide containing nuclear transport modulators and uses thereof XPO1, KPNA1, ABCB11 DPP4 2337/4885CHRNB2 3401/4885CHRNA3 2610/4885

“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.