SCHEMBL22009145

SCHEMBL22009145

O=C(O)CN1CC[C@@H]2CC(C(=O)CCc3ccc4c(n3)NCCC4)CC[C@@H]2C1=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.55
ITGAV P06756 20/20 0.55
ITGA2B P08514 2/20 0.44
ITGB1 P05556 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGB6 P18564 1/20 0.44

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
SCHEMBL23542452 0.84 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7912615 0.79 ITGB3 (0.79) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7910150 0.78 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7380492 0.77 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL760607 0.73 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL22008450 0.72 ITGAV (0.57) ITGB3ITGAVITGB6
SCHEMBL23542448 0.71 ITGB3 (0.55) ITGB3ITGAVITGB1ITGB5
SCHEMBL20481297 0.71 ITGAV (0.55) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL22009079 0.71 ITGAV (0.49) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL20481410 0.71 ITGAV (0.55) ITGB3ITGAVITGB5ITGB6

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-20200157075-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-05-21 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-20200157075-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGAV 3/4885ITGA2B 10/4885

“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.