SCHEMBL20139837

SCHEMBL20139837

CCOC(=O)C1CC2(C1)CC(C(=O)OCC)C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL22776936 0.90 CYP2C19 (0.41) CYP2C19CYP3A4CYP2D6CYP2C9MAPT
SCHEMBL20140638 0.89 CYP2C19 (0.40) CYP2C19CYP3A4CYP2D6CYP2C9MAPT
Hydrochloric Acid SCHEMBL21496926 0.89 CYP3A4 (0.40) CYP2C19CYP3A4CYP2D6CYP2C9MAPT
SCHEMBL19436606 0.88 CYP3A4 (0.45) CYP2C19CYP3A4CYP2D6CYP2C9MAPT
SCHEMBL20140580 0.87 CYP3A4 (0.39) CYP2C19CYP3A4CYP2D6CYP2C9MAPT
SCHEMBL25348687 0.86 CYP3A4 (0.41) CYP2C19CYP3A4CYP2D6CYP2C9MAPT
SCHEMBL2845209 0.83 OPRM1 (0.41) CYP2C19CYP3A4CYP2D6CYP2C9MAPT
SCHEMBL422879 0.83 MAPT (0.46) CYP2C19CYP3A4CYP2D6CYP2C9MAPT
SCHEMBL16699574 0.83 CYP3A4 (0.44) CYP2C19CYP3A4CYP2D6CYP2C9MAPT
SCHEMBL30943025 0.82 ALDH1A1 (0.39) CYP2C19CYP3A4CYP2D6CYP2C9MAPT

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 12 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
EP-3704112-B1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-09-27 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-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-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-03-29 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-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-06-17 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-3704112-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP 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 (6 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 CYP2C19 1466/4885CYP3A4 1749/4885CYP2D6 2639/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 CYP2C19 1158/4885CYP3A4 1366/4885CYP2D6 2453/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CYP2C19 1348/4885CYP3A4 1435/4885CYP2D6 2562/4885
US-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators NR1H2, NR1H4, NR1H3 CYP2C19 973/4885CYP3A4 375/4885CYP2D6 948/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CYP2C19 1726/4885CYP3A4 1893/4885CYP2D6 2688/4885
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H2, NR1H4, NR1H3 CYP2C19 973/4885CYP3A4 375/4885CYP2D6 948/4885

“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.