SCHEMBL26890983

SCHEMBL26890983

CC(=O)CN1CCN(C(=O)NCCCCc2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 15/20 0.58
ITGB3 P05106 14/20 0.58
ITGB6 P18564 3/20 0.49
CXCR4 P61073 3/20 0.47
CCR2 P41597 2/20 0.46
ITGB5 P18084 2/20 0.46
ITGB8 P26012 2/20 0.46

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
SCHEMBL20481119 0.92 ITGAV (0.63) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL20481009 0.89 ITGAV (0.62) ITGAVITGB3ITGB6CCR2ITGB5
SCHEMBL30336248 0.89 ITGAV (0.62) ITGAVITGB3ITGB6CCR2ITGB5
SCHEMBL26890985 0.87 ITGAV (0.53) ITGAVITGB3ITGB6CXCR4ITGB5
SCHEMBL20480976 0.86 ITGAV (0.52) ITGAVITGB3ITGB6CXCR4CCR2
SCHEMBL26890987 0.86 ITGAV (0.57) ITGAVITGB3ITGB6CXCR4
SCHEMBL20481160 0.85 ITGAV (0.58) ITGAVITGB3ITGB6CXCR4ITGB5
SCHEMBL26706922 0.84 ITGAV (0.53) ITGAVITGB3ITGB6CXCR4ITGB5
SCHEMBL26890997 0.84 ITGAV (0.55) ITGAVITGB3ITGB6CXCR4
SCHEMBL26706999 0.83 ITGAV (0.54) ITGAVITGB3ITGB6CXCR4ITGB5

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-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 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-11827621-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ITGAV 3/4885ITGB3 12/4885ITGB6 1/4885

“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.