SCHEMBL5220240

SCHEMBL5220240

CCOC(=O)N1C2CCC1CC(N(CC(=O)O)C(=O)OC(C)(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.48
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PREP P48147 1/20 0.34
CETP P11597 1/20 0.34
HSD11B1 P28845 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
SCHEMBL361549 0.77
Hydrochloric Acid SCHEMBL3021166 0.75
SCHEMBL992260 0.74
SCHEMBL583649 0.73
SCHEMBL5965337 0.73
SCHEMBL6476990 0.73
SCHEMBL18154297 0.73 HPGD (0.46) HSD11B1
SCHEMBL18154491 0.72 PKM (0.40) CHRM1CHRM3CHRM4CHRM5HSD11B1
SCHEMBL18154358 0.72 NR1H2 (0.46) CHRM1CHRM2CHRM3HSD11B1
SCHEMBL1720428 0.72 NFKB1 (0.41) NFKB1NFKB2RELA

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 CHRM1 4823/4885CHRM2 4861/4885CHRM3 4799/4885

“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.