SCHEMBL18347948

SCHEMBL18347948

CC(C)C(=O)N1CC[C@@H](F)C1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.60
DPP8 Q6V1X1 6/20 0.60
DPP9 Q86TI2 4/20 0.60
DPP7 Q9UHL4 8/20 0.54
KCNH2 Q12809 2/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CHRNA6 Q15825 1/20 0.47

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
SCHEMBL18347984 1.00 DPP4 (0.60) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL2739933 1.00 DPP4 (0.60) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL2739926 0.90 DPP4 (0.51) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL2739929 0.87 MEN1 (0.48) DPP4DPP8DPP9DPP7CHRNB2
SCHEMBL13819928 0.85 CHRNB2 (0.57) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL14655488 0.84 DPP4 (0.66) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL14655516 0.84 DPP4 (0.66) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL30335002 0.82 DPP4 (0.44) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL5396145 0.82 DPP4 (0.46) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL21028179 0.82 CHRNB2 (0.46) DPP4DPP8DPP9DPP7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-27 US disclosed
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed
US-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2020-04-16 US disclosed
US-10570094-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-02-25 US disclosed
US-10428080-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2019-10-01 US disclosed
US-20190119211-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2019-04-25 US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-20170369443-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2017-12-28 US disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 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 (8 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-20190119211-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX DPP4 1128/4885DPP8 1045/4885DPP9 854/4885
US-10428080-B2 TBK/IKK inhibitor compounds and uses thereof NFKBIA, TBKBP1, TBK1 DPP4 3379/4885DPP8 2600/4885DPP9 1796/4885
US-10570094-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX DPP4 1128/4885DPP8 1045/4885DPP9 854/4885
US-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX DPP4 1128/4885DPP8 1045/4885DPP9 854/4885
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX DPP4 1128/4885DPP8 1045/4885DPP9 854/4885
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG DPP4 1573/4885DPP8 1130/4885DPP9 676/4885
US-20170369443-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX DPP4 1128/4885DPP8 1045/4885DPP9 854/4885
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 DPP4 3379/4885DPP8 2600/4885DPP9 1796/4885

“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.