SCHEMBL5221665

SCHEMBL5221665

CC(C)(C)OC(=O)N(CC(=O)O)C1CCC(c2ccccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
GPR119 Q8TDV5 1/20 0.36
DRD4 P21917 7/20 0.36
LMNA P02545 2/20 0.36
CCR5 P51681 1/20 0.35
DRD2 P14416 3/20 0.35
DRD3 P35462 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RIPK1 Q13546 1/20 0.34

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
SCHEMBL5217289 0.83 HSD11B1 (0.42) HSD11B1CCR5
SCHEMBL5667975 0.80 DPP4 (0.51)
SCHEMBL5221879 0.80 DPP4 (0.51)
SCHEMBL361549 0.79
Hydrochloric Acid SCHEMBL3021166 0.78
SCHEMBL5216891 0.76 KDM1A (0.43) HSD11B1GPR119ALDH1A1
SCHEMBL6681845 0.76 HSD11B1 (0.39) HSD11B1CCR5DRD3
SCHEMBL17064325 0.74 HSD11B1 (0.41) HSD11B1CCR5ALDH1A1
SCHEMBL6360303 0.74 CHRM2 (0.37)
SCHEMBL27514912 0.74

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 HSD11B1 1080/4885GPR119 718/4885DRD4 2303/4885

“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.