SCHEMBL6358516

SCHEMBL6358516

CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](N)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.42
ITGB3 P05106 8/20 0.39
ITGA2B P08514 8/20 0.39
CTSL P07711 3/20 0.39
CTSK P43235 3/20 0.39
CTSB P07858 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HPGD P15428 1/20 0.38
PREP P48147 2/20 0.38

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
SCHEMBL6358515 1.00 AAK1 (0.42) AAK1ITGB3ITGA2BCTSLCTSK
SCHEMBL6360005 1.00 AAK1 (0.42) AAK1ITGB3ITGA2BCTSLCTSK
SCHEMBL6358520 1.00 AAK1 (0.42) AAK1ITGB3ITGA2BCTSLCTSK
SCHEMBL18215087 0.93 AAK1 (0.44) AAK1ITGB3ITGA2BCTSLCTSK
SCHEMBL18215143 0.93 AAK1 (0.44) AAK1ITGB3ITGA2BCTSLCTSK
SCHEMBL28650981 0.93 AAK1 (0.44) AAK1ITGB3ITGA2BCTSLCTSK
SCHEMBL14750995 0.92 AAK1 (0.44) AAK1ITGB3ITGA2BCTSLPREP
SCHEMBL9102145 0.90 AAK1 (0.44) AAK1ITGB3ITGA2BCTSLCTSK
SCHEMBL9102139 0.90 AAK1 (0.44) AAK1ITGB3ITGA2BCTSLCTSK
SCHEMBL6360143 0.88 DPP4 (0.43) AAK1ITGB3ITGA2BCTSLCTSK

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
WO-2005100334-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-27 WO disclosed
WO-2005100334-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-27 WO disclosed
US-20050234065-A1 Dipeptidyl peptidase-IV inhibitors PFIZER INC 2005-10-20 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-20050234065-A1 Dipeptidyl peptidase-IV inhibitors ALPI, DPP4, SI AAK1 778/4885ITGB3 1027/4885ITGA2B 1849/4885

“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.