SCHEMBL30487528

SCHEMBL30487528

CCOC(=O)C[C@H](NC(=O)N1CC(/C=C/c2ccc3cccnc3n2)C1)c1ccc(OC)nc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
USP9X Q93008 2/20 0.36
ALDH1A1 P00352 2/20 0.34
KCNK3 O14649 4/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CHRNA7 P36544 2/20 0.33
TGFBR1 P36897 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 2/20 0.32
NPC1 O15118 1/20 0.32
P2RX7 Q99572 1/20 0.32
GAA P10253 1/20 0.32
PDE2A O00408 1/20 0.32

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
SCHEMBL20158250 1.00 LMNA (0.36) LMNAUSP9XALDH1A1KCNK3ITGB1
SCHEMBL21314425 0.91 ITGB1 (0.41) USP9XKCNK3ITGB1ITGA4CHRNA7
SCHEMBL21314426 0.91 ITGB1 (0.41) USP9XKCNK3ITGB1ITGA4CHRNA7
SCHEMBL30487522 0.91 ITGB1 (0.41) USP9XKCNK3ITGB1ITGA4CHRNA7
SCHEMBL20158249 0.91 ITGB1 (0.41) USP9XKCNK3ITGB1ITGA4CHRNA7
SCHEMBL29702401 0.91 ITGB1 (0.41) USP9XKCNK3ITGB1ITGA4CHRNA7
SCHEMBL20158199 0.83 ITGB3 (0.46) ITGB1
SCHEMBL30487543 0.83 ITGB3 (0.46) ITGB1
SCHEMBL24080932 0.79 ROCK2 (0.36) USP9XALDH1A1KCNK3RXFP1TGFBR1
SCHEMBL29511445 0.79 ROCK2 (0.36) USP9XALDH1A1KCNK3RXFP1TGFBR1

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-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 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-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 LMNA 2992/4885USP9X 2990/4885ALDH1A1 1029/4885

“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.