SCHEMBL5025709

SCHEMBL5025709

O=C(O)CC1=C2CC=CC=C2N(CC(=O)NCCNc2ccccn2)C(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.42
ITGAV P06756 8/20 0.42
ITGA2B P08514 3/20 0.35
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
ITGB5 P18084 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6424193 0.69 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL5879963 0.64 ITGB3 (0.90) ITGB3ITGAV
SCHEMBL5026370 0.63 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB5
SCHEMBL18381352 0.63 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5LMNA
SCHEMBL10401970 0.63 CYP1A2 (0.53) ITGB3ITGAVALDH1A1
SCHEMBL6439458 0.63 ITGB3 (0.49) ITGB3ITGAVLMNA
SCHEMBL8145501 0.62 CYP1A2 (0.56) ITGB3ITGAVALOX15ALDH1A1
SCHEMBL6301697 0.61 ITGB3 (0.52) ITGB3ITGAVITGA2BDPP4ITGB5
SCHEMBL5879535 0.61 ITGB3 (0.75) ITGB3ITGAVKDM4E
SCHEMBL8180590 0.61 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B ITGB3 1/4885ITGAV 2/4885ITGA2B 3/4885

“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.