SCHEMBL2739927

SCHEMBL2739927

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.54
DPP7 Q9UHL4 8/20 0.54
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
PLD2 O14939 1/20 0.39
PLD1 Q13393 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
KCNH2 Q12809 3/20 0.36
PDE9A O76083 1/20 0.36
PDE1B Q01064 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL2739928 0.88 DPP4 (0.47) DPP4DPP7DPP8DPP9PLD2
SCHEMBL2739925 0.87 DPP4 (0.41) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL5020032 0.84 DPP4 (0.45) DPP4DPP7DPP8DPP9PLD2
SCHEMBL12332944 0.84 DPP4 (0.59) DPP4DPP7DPP8DPP9PLD2
SCHEMBL15203497 0.84 DPP4 (0.59) DPP4DPP7DPP8DPP9PLD2
SCHEMBL26643737 0.84 DPP4 (0.59) DPP4DPP7DPP8DPP9PLD2
SCHEMBL2739930 0.82 DPP4 (0.48) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL22991078 0.81 DPP4 (0.39) DPP4DPP7DPP8DPP9CHRNB2
SCHEMBL12946419 0.81 DPP4 (0.49) DPP4DPP7DPP8DPP9PLD2
SCHEMBL27370244 0.81 DPP4 (0.39) 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840529-B2 Substituted pyrimidines as LRKK2 inhibitors DENALI THERAPEUTICS INC. (US) 2023-12-12 US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 US disclosed
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2020-07-02 US disclosed
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-05-12 US disclosed
US-10428080-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2019-10-01 US disclosed
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 US disclosed
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 US disclosed
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2019-04-02 US disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090281085-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY ALLERGAN, INC. 2009-11-12 US disclosed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 US disclosed
US-7345178-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2008-03-18 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
US-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 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 (15 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-11840529-B2 Substituted pyrimidines as LRKK2 inhibitors LRRK2, DTYMK, LMTK2 DPP4 1485/4885DPP7 558/4885DPP8 517/4885
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP DPP4 26/4885DPP7 29/4885DPP8 50/4885
US-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT DPP4 1318/4885DPP7 2708/4885DPP8 3189/4885
US-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 DPP4 1525/4885DPP7 1512/4885DPP8 1232/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT DPP4 1318/4885DPP7 2708/4885DPP8 3189/4885
US-10428080-B2 TBK/IKK inhibitor compounds and uses thereof NFKBIA, TBKBP1, TBK1 DPP4 3379/4885DPP7 2875/4885DPP8 2600/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT DPP4 1318/4885DPP7 2708/4885DPP8 3189/4885
US-20090281085-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY OPRL1, OPRK1, OPRM1 DPP4 446/4885DPP7 385/4885DPP8 782/4885
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use BACE1, BACE2, APP DPP4 350/4885DPP7 484/4885DPP8 909/4885
US-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B DPP4 1108/4885DPP7 497/4885DPP8 466/4885
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP DPP4 26/4885DPP7 29/4885DPP8 50/4885
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP DPP4 26/4885DPP7 29/4885DPP8 50/4885
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF NFKB2, NFKBIA, AP1G1 DPP4 3805/4885DPP7 3942/4885DPP8 3239/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 DPP4 1230/4885DPP7 880/4885DPP8 950/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 DPP4 1230/4885DPP7 880/4885DPP8 950/4885

“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.