SCHEMBL2433746

SCHEMBL2433746

COC[C@@]1(CO)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
CTSK P43235 1/20 0.37
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK3 P52333 2/20 0.33
NR1H2 P55055 1/20 0.33
NAMPT P43490 4/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KDM1A O60341 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
SCHEMBL31503658 0.91 USP2 (0.36) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL27092776 0.87 GRIN2B (0.39) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL442695 0.85 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL444540 0.84 GRIN2B (0.38) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL444153 0.83 GRIN2B (0.45) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL24999579 0.82 CTSK (0.37) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL20330502 0.82 GRIN2B (0.37) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL444285 0.82 NR1H2 (0.40) GRIN2BGRIN2CCTSKSMN1; SMN2JAK3
SCHEMBL441772 0.82 GRIN2B (0.37) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL27219247 0.82 GRIN2B (0.37) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2

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 GRIN2B 699/4885GRIN2C 2536/4885CTSK 3982/4885

“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.