SCHEMBL4915020

SCHEMBL4915020

CC(C)(C)OC(=O)N[C@@H](CCNCc1ccc2ccccc2n1)C(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.42
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
P2RY12 Q9H244 9/20 0.41
DPP7 Q9UHL4 1/20 0.40
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
CALCRL Q16602 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4907306 0.91 TGM2 (0.41) TGM2P2RY12KMT2ABCHEACHE
SCHEMBL5871953 0.82 TGM2 (0.44) TGM2ITGB3ITGA2BP2RY12DPP7
SCHEMBL8361664 0.79 DPP7 (0.57) DPP7
Hydrochloric Acid SCHEMBL4911337 0.78 DPP7 (0.56) DPP7
Hydrochloric Acid SCHEMBL4911332 0.78 DPP7 (0.56) DPP7
SCHEMBL5444581 0.74 CTSK (0.59) ITGB3ITGA2BKMT2AMAPK1
SCHEMBL9318798 0.73 PTPN1 (0.49)
SCHEMBL21744309 0.73 BCHE (0.47) BCHE
SCHEMBL30069410 0.73 BCHE (0.47) BCHE
SCHEMBL4910116 0.72 ITGB3 (0.49) ITGB3ITGA2BKMT2ACALCRL

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
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-20050043299-A1 Inhibitors of dipeptidyl peptidase iv FERRING B. V. 2005-02-24 US disclosed
EP-1446116-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2004-08-18 EP disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 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 (2 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-20050043299-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP9, DPP3 TGM2 293/4885ITGB3 4014/4885ITGA2B 3782/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 TGM2 440/4885ITGB3 4250/4885ITGA2B 4214/4885

“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.