SCHEMBL20140486

SCHEMBL20140486

C=C1CC(C(CC(=O)O)c2ccc(OC)nc2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
FFAR1 O14842 10/20 0.41
ITGB3 P05106 4/20 0.39
ITGAV P06756 4/20 0.39
CTSA P10619 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
NNMT P40261 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 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
SCHEMBL20158105 0.86 CHRNA7 (0.39) CHRNA7ITGB1ITGA4ITGB3ITGAV
SCHEMBL30487531 0.86 CHRNA7 (0.39) CHRNA7ITGB1ITGA4ITGB3ITGAV
SCHEMBL20140528 0.83 CHRNA7 (0.43) CHRNA7ITGB1ITGA4FFAR1ITGB3
SCHEMBL20140461 0.82 CHRNA7 (0.42) CHRNA7ITGB1ITGA4FFAR1ITGB3
SCHEMBL20140634 0.78 ITGB3 (0.38) CHRNA7ITGB1ITGA4FFAR1ITGB3
SCHEMBL20139821 0.78 CHRNA7 (0.39) CHRNA7ITGB1ITGA4FFAR1ITGB3
SCHEMBL20140412 0.78 CHRNA7 (0.37) CHRNA7ITGB1ITGA4FFAR1ITGB3
SCHEMBL6221566 0.77 ITGB3 (0.50) CHRNA7FFAR1ITGB3ITGAVCTSA
SCHEMBL20142702 0.76 FFAR1 (0.38) CHRNA7ITGB1ITGA4FFAR1ITGB3
SCHEMBL3727872 0.74 NNMT (0.47) CHRNA7ITGB1ITGA4FFAR1ITGB3

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 CHRNA7 656/4885ITGB1 1/4885ITGA4 16/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 CHRNA7 673/4885ITGB1 1/4885ITGA4 12/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CHRNA7 862/4885ITGB1 1/4885ITGA4 13/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CHRNA7 895/4885ITGB1 1/4885ITGA4 18/4885

“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.