SCHEMBL2432633

SCHEMBL2432633

CC(C)(C)OC(=O)N1C[C@@H](F)C[C@]1(C)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
EPHX2 P34913 1/20 0.35
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.32
HSD11B1 P28845 1/20 0.31
RORC P51449 4/20 0.31
USP30 Q70CQ3 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
KDM1A O60341 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
BUB1 O43683 1/20 0.31

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
SCHEMBL28688745 0.83 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL7035680 0.82 CHRM2 (0.42) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL16409167 0.81 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL15114599 0.81 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL19388507 0.81 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL20054314 0.81 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL2542297 0.81 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL6542973 0.81 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL15116546 0.81 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3EPHX2
SCHEMBL15116741 0.81 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3EPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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 (1 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 NR1H2 533/4885CHRM2 1536/4885CHRM1 917/4885

“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.