SCHEMBL20157747

SCHEMBL20157747

COC(=O)C[C@H](NC(=O)C1CCN(CCCc2ccc3cccnc3n2)CC1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.43
SUCNR1 Q9BXA5 7/20 0.42
OXGR1 Q96P68 2/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL30487546 0.89 SUCNR1 (0.40) DRD2SUCNR1OXGR1HDAC1HDAC3
SCHEMBL20157742 0.85 OPRM1 (0.42) DRD2OPRM1OPRD1
SCHEMBL20157750 0.81 ITGAV (0.57)
SCHEMBL20157749 0.81 HDAC1 (0.41) DRD2OPRM1OPRD1HDAC1
SCHEMBL21314527 0.80 ITGB3 (0.41) SUCNR1OXGR1HDAC1HDAC3HDAC2
SCHEMBL20158254 0.77 OPRM1 (0.39) DRD2OPRM1OPRD1
SCHEMBL21281666 0.75 SUCNR1 (0.39) SUCNR1OXGR1
SCHEMBL21314446 0.74 WDR5 (0.34) DRD2OPRM1OPRD1HDAC1HDAC3
SCHEMBL21314447 0.74 WDR5 (0.34) DRD2OPRM1OPRD1HDAC1HDAC3
SCHEMBL20157744 0.73 ITGAV (0.69)

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 DRD2 1144/4885SUCNR1 1867/4885OXGR1 787/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 DRD2 1035/4885SUCNR1 2029/4885OXGR1 775/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 DRD2 1561/4885SUCNR1 2279/4885OXGR1 697/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 DRD2 1602/4885SUCNR1 1854/4885OXGR1 605/4885

“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.