SCHEMBL22729291

SCHEMBL22729291

COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(C(=N)N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 1.00
ITGA2B P08514 15/20 1.00
F2 P00734 5/20 0.63
F10 P00742 4/20 0.63

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
SCHEMBL6471417 0.91 ITGB3 (0.83) ITGB3ITGA2BF2F10
SCHEMBL6473800 0.91 ITGB3 (0.83) ITGB3ITGA2BF2F10
SCHEMBL6475730 0.88 ITGB3 (1.00) ITGB3ITGA2BF2F10
Acetic Acid SCHEMBL6474255 0.87 ITGB3 (1.00) ITGB3ITGA2BF2F10
SCHEMBL6474923 0.87 ITGB3 (0.76) ITGB3ITGA2BF2F10
SCHEMBL6473921 0.87 ITGB3 (0.76) ITGB3ITGA2BF2F10
SCHEMBL6471849 0.85 ITGB3 (1.00) ITGB3ITGA2BF2F10
Acetic Acid SCHEMBL6474725 0.84 ITGB3 (1.00) ITGB3ITGA2BF2F10
SCHEMBL6474734 0.83 ITGB3 (0.85) ITGB3ITGA2BF2F10
SCHEMBL6532497 0.82 ITGB3 (0.70) ITGB3ITGA2BF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2020-12-17 US disclosed
EP-3747879-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2020-12-09 EP 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-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF NPR3, SLC10A1, CNR2 ITGB3 1790/4885ITGA2B 3561/4885F2 2266/4885

“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.