SCHEMBL30487495

SCHEMBL30487495

CCOC(=O)C[C@H](NC(=O)C1CC2(CNC2)C1)c1ccc(OC)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
CHRNA7 P36544 5/20 0.39
KCNK3 O14649 4/20 0.38
LMNA P02545 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
KCNK9 Q9NPC2 1/20 0.37
ACACB O00763 1/20 0.36
ROCK2 O75116 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL20140536 0.89 ITGB1 (0.51) ITGB1ITGA4CHRNA7KCNK3LMNA
SCHEMBL20141568 0.86 ITGB1 (0.43) ITGB1ITGA4CHRNA7KCNK3LMNA
SCHEMBL20158259 0.86 ITGB3 (0.46) ITGB1ITGA4CHRNA7KCNK3ITGB3
SCHEMBL30487508 0.84 ITGB1 (0.39) ITGB1ITGA4CHRNA7KCNK3LMNA
SCHEMBL21317521 0.83 ITGB1 (0.39) ITGB1ITGA4CHRNA7ITGB3ITGA2B
SCHEMBL26462396 0.80 ITGB1 (0.37) ITGB1ITGA4CHRNA7KCNK3ITGB3
SCHEMBL28743991 0.80 ITGB1 (0.37) ITGB1ITGA4CHRNA7KCNK3ITGB3
SCHEMBL20158243 0.79 LMNA (0.39) ITGB1ITGA4CHRNA7KCNK3LMNA
SCHEMBL20158238 0.78 LMNA (0.39) ITGB1ITGA4CHRNA7KCNK3LMNA
SCHEMBL20158341 0.77 KCNK3 (0.39) ITGB1ITGA4CHRNA7KCNK3ITGB3

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 ITGB1 1/4885ITGA4 13/4885CHRNA7 862/4885

“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.