SCHEMBL20141487

SCHEMBL20141487

CCOC(=O)CC(c1ccc(OC)nc1)C1(F)CN(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.36
OXTR P30559 1/20 0.35
KCNK3 O14649 4/20 0.35
CHRNA7 P36544 1/20 0.34
FGFR2 P21802 3/20 0.34
FGFR3 P22607 2/20 0.34
FGFR1 P11362 1/20 0.34
FGFR4 P22455 1/20 0.34
KDR P35968 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
GPR183 P32249 1/20 0.32

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
SCHEMBL21317526 0.88 GPR119 (0.38) FFAR1OXTRALDH1A1KDM4EKMT2A
SCHEMBL20140519 0.84 OXTR (0.36) FFAR1OXTRKCNK3CHRNA7ALDH1A1
SCHEMBL20142228 0.78 ITGAV (0.43) ITGB1
SCHEMBL20141568 0.76 ITGB1 (0.43) KCNK3CHRNA7ALDH1A1CNR2ITGB1
SCHEMBL20141864 0.76 ITGB1 (0.40) OXTRKCNK3CHRNA7ALDH1A1ITGB1
SCHEMBL20141723 0.75 ITGAV (0.57) ITGB1
SCHEMBL20153392 0.73 NNMT (0.43) FFAR1OXTRKCNK3CHRNA7ALDH1A1
SCHEMBL6106081 0.73 NNMT (0.43) FFAR1OXTRKCNK3CHRNA7ALDH1A1
SCHEMBL21311525 0.72 OXTR (0.38) FFAR1OXTRKCNK3CHRNA7FGFR2
SCHEMBL6108575 0.71 KCNK3 (0.42) FFAR1OXTRKCNK3CHRNA7ALDH1A1

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 7 patents. 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-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
EP-3538526-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP 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 FFAR1 1178/4885OXTR 544/4885KCNK3 2096/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 FFAR1 1171/4885OXTR 479/4885KCNK3 1898/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 FFAR1 1343/4885OXTR 547/4885KCNK3 2064/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 FFAR1 1302/4885OXTR 469/4885KCNK3 2201/4885

“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.