SCHEMBL13355467

SCHEMBL13355467

COC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.39
FGFR4 P22455 10/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
ESR2 Q92731 1/20 0.35
BRD4 O60885 1/20 0.35
NR1H2 P55055 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP11B2 P19099 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
SCHEMBL29702271 1.00 MPO (0.39) MPOFGFR4NPC1RAB9AKDM4E
SCHEMBL861136 0.89 L3MBTL1 (0.40) MPOFGFR4NPC1RAB9AKDM4E
SCHEMBL27406006 0.89 MPO (0.38) MPOFGFR4NPC1RAB9AKDM4E
SCHEMBL30474562 0.89 MPO (0.40) MPOFGFR4NPC1RAB9AGPR119
SCHEMBL4523127 0.89 MPO (0.40) MPOFGFR4NPC1RAB9AGPR119
SCHEMBL30918966 0.88 MPO (0.38) MPOFGFR4NPC1RAB9AKDM4E
SCHEMBL20025181 0.86 ITGAV (0.38) MPOFGFR4NPC1RAB9AKDM4E
SCHEMBL30918981 0.86 MPO (0.41) MPOFGFR4NPC1RAB9AKDM4E
SCHEMBL17642774 0.86 MPO (0.41) MPOFGFR4NPC1RAB9AGPR119
SCHEMBL25352180 0.86 ITGAV (0.38) MPOFGFR4NPC1RAB9AGPR119

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538526-B1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-04-10 EP disclosed
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US disclosed
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
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP 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-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
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 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
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO 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
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
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed
WO-2010057101-A2 COMPOUNDS USEFUL AS HIV BLOCKERS SCHERING CORPORATION (US) 2010-05-20 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 (7 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-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 MPO 4391/4885FGFR4 1499/4885NPC1 2677/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV MPO 4599/4885FGFR4 671/4885NPC1 1821/4885
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 MPO 4428/4885FGFR4 1539/4885NPC1 1238/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 MPO 4579/4885FGFR4 806/4885NPC1 1454/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 MPO 4394/4885FGFR4 1380/4885NPC1 1288/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 MPO 4460/4885FGFR4 1170/4885NPC1 1247/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 MPO 4488/4885FGFR4 1006/4885NPC1 2252/4885

“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.