SCHEMBL70812

SCHEMBL70812

CC(C)(C)OC(=O)N1CCC[C@]1(F)CO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
CTSK P43235 1/20 0.39
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 2/20 0.35
NR1H2 P55055 1/20 0.35
CNR1 P21554 1/20 0.35
JAK3 P52333 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL28858349 1.00 GRIN2B (0.40) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL2437948 0.88 GRIN2B (0.40) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL72411 0.86 GRIN2B (0.39) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL29673373 0.80 GRIN2B (0.43) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL8199036 0.79 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL8950858 0.79 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL705582 0.79 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL15425362 0.79 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL28119940 0.79 GRIN2B (0.42) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL28389036 0.78 GRIN2B (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 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 (3 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 GRIN2B 1037/4885GRIN2C 1835/4885CTSK 3646/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 GRIN2B 1172/4885GRIN2C 1874/4885CTSK 3479/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 GRIN2B 694/4885GRIN2C 1414/4885CTSK 3498/4885

“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.