SCHEMBL5221881

SCHEMBL5221881

CC(C)(C)OC(=O)NC1CCN(c2cc(F)cc(C#N)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.48
DRD2 P14416 2/20 0.46
KCNA3 P22001 1/20 0.45
KDM4D Q6B0I6 3/20 0.45
CHRM2 P08172 1/20 0.44
PARP1 P09874 1/20 0.44
AAK1 Q2M2I8 1/20 0.43
NPY5R Q15761 2/20 0.43
CHRM4 P08173 3/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
EPAS1 Q99814 1/20 0.42
SUV39H2 Q9H5I1 1/20 0.42
DRD3 P35462 1/20 0.41

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
SCHEMBL5217212 0.89 NPY5R (0.52) CTSKDRD2KCNA3KDM4DPARP1
SCHEMBL5115646 0.84 CTSK (0.50) CTSKDRD2KCNA3KDM4DPARP1
SCHEMBL5202966 0.83 CTSK (0.53) CTSKDRD2KCNA3KDM4DAAK1
SCHEMBL647174 0.83 CTSK (0.48) CTSKDRD2KCNA3KDM4DAAK1
SCHEMBL3486638 0.80 GPR119 (0.58) CHRM4
SCHEMBL5220499 0.80 KDM4D (0.53) CTSKDRD2KCNA3KDM4DAAK1
SCHEMBL21360311 0.79 RET (0.49) CTSKDRD2KCNA3KDM4DAAK1
SCHEMBL5216885 0.79 CHRM4 (0.53) CTSKDRD2KCNA3KDM4DPARP1
SCHEMBL14277283 0.79 CTSK (0.44) CTSKDRD2KCNA3KDM4DPARP1
SCHEMBL30976319 0.78 EGLN2 (0.53) CHRM4

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 5 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
EP-1399433-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-24 EP disclosed
WO-2003002553-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO 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 CTSK 174/4885DRD2 3746/4885KCNA3 4745/4885

“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.