SCHEMBL5500945

SCHEMBL5500945

CC(=O)NCCCCc1ccc2c(n1)NCCC2

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.67
ITGB3 P05106 15/20 0.67
CXCR4 P61073 4/20 0.55
ITGB6 P18564 4/20 0.54
ITGB5 P18084 3/20 0.54
ITGB8 P26012 3/20 0.54

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
SCHEMBL26843366 0.91 ITGB3 (0.66) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL6426136 0.90 ITGAV (0.71) ITGAVITGB3CXCR4ITGB6ITGB5
SCHEMBL7377654 0.89 ITGAV (0.69) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL13720083 0.86 ITGAV (0.69) ITGAVITGB3CXCR4ITGB6ITGB5
SCHEMBL3219843 0.86 ITGAV (0.65) ITGAVITGB3CXCR4ITGB6ITGB5
SCHEMBL3219507 0.85 ITGAV (0.64) ITGAVITGB3CXCR4ITGB6
SCHEMBL22893669 0.85 ITGAV (0.61) ITGAVITGB3CXCR4ITGB6
SCHEMBL21329736 0.85 ITGAV (0.60) ITGAVITGB3CXCR4ITGB6ITGB5
SCHEMBL22910283 0.84 ITGAV (0.56) ITGAVITGB3CXCR4ITGB6ITGB5
SCHEMBL29416356 0.84 ITGAV (0.66) ITGAVITGB3ITGB6ITGB5ITGB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP claimed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO claimed
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 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 (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-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS ITGB6, ITGA5, ITGAV ITGAV 3/4885ITGB3 9/4885CXCR4 631/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 ITGAV 2/4885ITGB3 13/4885CXCR4 830/4885

“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.