SCHEMBL20140573

SCHEMBL20140573

COc1ccc(C(CC(=O)O)NC2CNC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
P2RX3 P56373 2/20 0.42
P2RX2 Q9UBL9 2/20 0.42
CHRNA7 P36544 2/20 0.42
ITGB3 P05106 6/20 0.40
ITGAV P06756 5/20 0.40
KCNK3 O14649 5/20 0.40
ITGA2B P08514 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
ITGB5 P18084 1/20 0.38
FFAR1 O14842 1/20 0.38
CTSA P10619 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
SCHEMBL20158341 0.87 KCNK3 (0.39) ITGB1ITGA4P2RX3P2RX2CHRNA7
SCHEMBL5091427 0.80 ITGB1 (0.48) ITGB1ITGA4P2RX3P2RX2CHRNA7
SCHEMBL7015933 0.76 ITGB1 (0.46) ITGB1ITGA4P2RX3P2RX2CHRNA7
SCHEMBL7015928 0.76 ITGB1 (0.46) ITGB1ITGA4P2RX3P2RX2CHRNA7
SCHEMBL20140536 0.76 ITGB1 (0.51) ITGB1ITGA4P2RX3P2RX2CHRNA7
SCHEMBL20141864 0.74 ITGB1 (0.40) ITGB1ITGA4P2RX3P2RX2CHRNA7
SCHEMBL6221566 0.74 ITGB3 (0.50) CHRNA7ITGB3ITGAVITGA2BALDH1A1
SCHEMBL20140485 0.72 ITGB1 (0.51) ITGB1ITGA4P2RX3P2RX2CHRNA7
SCHEMBL21314423 0.72 ITGB1 (0.47) ITGB1ITGA4P2RX3P2RX2CHRNA7
SCHEMBL3727872 0.72 NNMT (0.47) ITGB1ITGA4CHRNA7ITGB3ITGAV

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 8 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
CN-110167934-B Cyclobutane-and azetidine-containing monocyclic and spiro compounds as alpha V integrin inhibitors 百时美施贵宝公司 2022-06-10 CN 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 ITGB1 1/4885ITGA4 16/4885P2RX3 1897/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGB1 1/4885ITGA4 12/4885P2RX3 1816/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGB1 1/4885ITGA4 13/4885P2RX3 2158/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGB1 1/4885ITGA4 18/4885P2RX3 2354/4885

“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.