SCHEMBL20157749

SCHEMBL20157749

COC(=O)C[C@H](NC(=O)C1CCN(CCCC(C)=O)CC1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.41
DRD2 P14416 3/20 0.39
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL30487482 0.86 HDAC1 (0.34) HDAC1ITGB3ITGA2B
SCHEMBL20157747 0.81 DRD2 (0.43) HDAC1DRD2OPRM1OPRD1
SCHEMBL20157751 0.79 ITGB3 (0.44) SMN1; SMN2ITGB3ITGA2B
SCHEMBL20158349 0.78 STS (0.56)
SCHEMBL20157750 0.78 ITGAV (0.57) ITGB3ITGA2B
SCHEMBL20157742 0.76 OPRM1 (0.42) DRD2OPRM1OPRD1ITGB3ITGA2B
SCHEMBL21314515 0.76 ITGB1 (0.38) HDAC1SMN1; SMN2ITGB3ITGA2B
SCHEMBL20157743 0.73 ITGAV (0.42) ITGB3ITGA2B
SCHEMBL26462366 0.71 ITGB3 (0.35) SMN1; SMN2ITGB3ITGA2B
SCHEMBL20141286 0.71 ITGB1 (0.35) SMN1; SMN2ITGB3ITGA2B

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 5 patents. 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
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-05 US disclosed
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO 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 (4 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-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 HDAC1 444/4885DRD2 1144/4885OPRM1 257/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 HDAC1 476/4885DRD2 1035/4885OPRM1 195/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 HDAC1 420/4885DRD2 1561/4885OPRM1 244/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 HDAC1 385/4885DRD2 1602/4885OPRM1 236/4885

“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.