SCHEMBL5224700

SCHEMBL5224700

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.35
ADCY6 O43306 1/20 0.34
ADCY3 O60266 1/20 0.34
ADCY9 O60503 1/20 0.34
ADCY5 O95622 1/20 0.34
ADCY8 P40145 1/20 0.34
GLP1R P43220 1/20 0.34
GIPR P48546 1/20 0.34
ADCY7 P51828 1/20 0.34
ADCY2 Q08462 1/20 0.34
ADCY1 Q08828 1/20 0.34
ADCY4 Q8NFM4 1/20 0.34
LIPA P38571 1/20 0.33

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
SCHEMBL361549 0.92
Hydrochloric Acid SCHEMBL3021166 0.91
SCHEMBL6360303 0.86 CHRM2 (0.37)
SCHEMBL27514912 0.86
SCHEMBL992260 0.86
SCHEMBL8905118 0.85 DPP4 (0.33)
SCHEMBL8905115 0.85 DPP4 (0.33)
SCHEMBL6476990 0.84
SCHEMBL583649 0.84
SCHEMBL5965337 0.84

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 GCGR 1346/4885ADCY6 3975/4885ADCY3 4120/4885

“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.