SCHEMBL5545237

SCHEMBL5545237

CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CN)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.50
NFKB2 Q00653 4/20 0.50
RELA Q04206 4/20 0.50
BTK Q06187 1/20 0.39
KDM1A O60341 2/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
CTSK P43235 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
SCHEMBL14511588 1.00 NFKB1 (0.50) NFKB1NFKB2RELABTKKDM1A
SCHEMBL13628664 0.86 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL31454797 0.86 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL3906310 0.86 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL5016759 0.86 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL31454839 0.86 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL4998586 0.86 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL6058662 0.85 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A
SCHEMBL6058659 0.85 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A
SCHEMBL6058660 0.85 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A

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
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US claimed
US-7230002-B2 Dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2007-06-12 US disclosed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 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-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 NFKB1 3836/4885NFKB2 4420/4885RELA 4836/4885

“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.