SCHEMBL20157742

SCHEMBL20157742

COC(=O)C[C@H](NC(=O)C1CCN(CCc2cc3cccnc3nc2C)CC1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
DRD2 P14416 10/20 0.41
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
WDR5 P61964 1/20 0.35
CCR5 P51681 3/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL21314446 0.89 WDR5 (0.34) OPRM1OPRD1DRD2ITGB3ITGA2B
SCHEMBL21314447 0.89 WDR5 (0.34) OPRM1OPRD1DRD2ITGB3ITGA2B
SCHEMBL20157747 0.85 DRD2 (0.43) OPRM1OPRD1DRD2
SCHEMBL28744044 0.81 ITGB3 (0.34) OPRM1OPRD1ITGB3ITGA2B
SCHEMBL20157743 0.81 ITGAV (0.42) ITGB3ITGA2B
SCHEMBL20157749 0.76 HDAC1 (0.41) OPRM1OPRD1DRD2ITGB3ITGA2B
SCHEMBL20156369 0.75 WDR5 (0.35) WDR5MAPK1
SCHEMBL30487546 0.74 SUCNR1 (0.40) DRD2ITGB3WDR5
SCHEMBL20157746 0.73 ITGAV (0.50) ITGB3ITGA2B
SCHEMBL20157750 0.71 ITGAV (0.57) ITGB3ITGA2B

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 OPRM1 257/4885OPRD1 53/4885DRD2 1144/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 OPRM1 195/4885OPRD1 52/4885DRD2 1035/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 OPRM1 244/4885OPRD1 72/4885DRD2 1561/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 OPRM1 236/4885OPRD1 84/4885DRD2 1602/4885

“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.