SCHEMBL5216841

SCHEMBL5216841

N#Cc1ccc(N2CC[C@H](NC(=O)O)C2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.52
JAK2 O60674 9/20 0.50
JAK3 P52333 9/20 0.50
JAK1 P23458 8/20 0.50
KCNH2 Q12809 8/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
GRM4 Q14833 1/20 0.50
CHRM2 P08172 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM4 P08173 1/20 0.47
USP30 Q70CQ3 2/20 0.47
TIPARP Q7Z3E1 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 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
SCHEMBL4212961 1.00 DPP4 (0.52) DPP4JAK2JAK3JAK1KCNH2
SCHEMBL16718874 0.93 GRM4 (0.48) DPP4JAK2JAK3JAK1KCNH2
SCHEMBL16718831 0.93 JAK2 (0.54) DPP4JAK2JAK3JAK1KCNH2
SCHEMBL16718803 0.90 GRM4 (0.59) DPP4JAK2JAK3JAK1KCNH2
SCHEMBL952010 0.83 JAK3 (0.58) DPP4JAK3
SCHEMBL6913383 0.82 PIK3CA (0.52) DPP4JAK2JAK3JAK1KCNH2
SCHEMBL1749349 0.82 CA12 (0.53) CA12CA1CA2CA4CA7
SCHEMBL1345454 0.81 JAK2 (0.55) DPP4JAK2JAK3JAK1KCNH2
SCHEMBL26292100 0.81 DPP4 (0.48) DPP4JAK2JAK3JAK1KCNH2
SCHEMBL2226561 0.81 NOTUM (0.56) DPP4JAK2JAK3JAK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399433-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 US disclosed
US-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity SMITHKLINE BEECHAM CORPORATION 2004-12-02 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 (1 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-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity DPP4, DPP7, DPP3 DPP4 1/4885JAK2 1548/4885JAK3 1775/4885

“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.