SCHEMBL4309286

SCHEMBL4309286

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
JAK3 P52333 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSK P43235 1/20 0.36
EPHX1 P07099 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H2 P55055 1/20 0.32
NAMPT P43490 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
SCHEMBL4437296 1.00 GRIN2B (0.40) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL692636 1.00 GRIN2B (0.40) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL3554328 0.89 GRIN2B (0.39) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL2774828 0.84 GRIN2B (0.41) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL1268184 0.84 GRIN2B (0.41) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL199926 0.84 GRIN2B (0.41) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL5578431 0.84 GRIN2B (0.38) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL3000663 0.81 GRIN2B (0.40) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL3000664 0.81 GRIN2B (0.40) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL10039817 0.81 GRIN2B (0.40) GRIN2BGRIN2CJAK3USP2SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069376-A1 VLA-4 Antagonists MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
EP-1874299-A2 VLA-4 ANTAGONISTS Merck & Co., Inc. (US) 2008-01-09 EP disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
WO-2006115918-A2 VLA-4 ANTAGONISTS MERCK & CO., INC. (US) 2006-11-02 WO disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 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 (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-20090069376-A1 VLA-4 Antagonists VCAM1, SELPLG, ITGB4 GRIN2B 940/4885GRIN2C 1888/4885JAK3 1639/4885

“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.