SCHEMBL30487546

SCHEMBL30487546

COC(=O)C[C@H](NC(=O)C1CC2(C1)CN(CCCc1ccc3cccnc3n1)C2)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 14/20 0.40
OXGR1 Q96P68 2/20 0.40
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGB6 P18564 1/20 0.34
ITGB8 P26012 1/20 0.34
DRD2 P14416 1/20 0.33
WDR5 P61964 1/20 0.33
BDKRB1 P46663 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
SCHEMBL21314527 0.92 ITGB3 (0.41) SUCNR1OXGR1HDAC3HDAC1HDAC2
SCHEMBL20157747 0.89 DRD2 (0.43) SUCNR1OXGR1HDAC3HDAC1HDAC2
SCHEMBL21314447 0.85 WDR5 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21314446 0.85 WDR5 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21317534 0.82 ITGAV (0.55) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL30487506 0.82 ITGAV (0.55) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL30487482 0.82 HDAC1 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30487541 0.78 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28744044 0.78 ITGB3 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20142411 0.77 SUCNR1 (0.34) SUCNR1OXGR1HDAC3HDAC1HDAC2

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 SUCNR1 2279/4885OXGR1 697/4885HDAC3 944/4885

“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.