SCHEMBL932957

SCHEMBL932957

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSK P43235 1/20 0.39
HPGD P15428 1/20 0.37
JAK3 P52333 2/20 0.37
EPHX1 P07099 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PREP P48147 1/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BUB1 O43683 1/20 0.33

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
SCHEMBL28832612 0.95 GRIN2B (0.40) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL475482 0.84 GRIN2B (0.44) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL28516223 0.83 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL28658998 0.83 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL6429049 0.81 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL4730578 0.81 GRIN2B (0.42) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL12384277 0.81 GRIN2B (0.42) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL8528362 0.81 GRIN2B (0.45) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL28721452 0.81 GRIN2B (0.42) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL28119940 0.81 GRIN2B (0.42) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK

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-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO disclosed
EP-1087663-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
US-6514992-B1 Excessive or inappropriate apoptosis in the neuronal cells occurs in Alzheimer disease and ischemia, T cells in HIV and cardiac myocytes during infarction/reperfusion; caspases inhibit apoptosis SMITHKLINE BEECHAM CORPORATION 2003-02-04 US disclosed
EP-1087663-A2 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-04 EP disclosed
WO-1999065451-A2 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-23 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS GRIN2B 4795/4885GRIN2C 4446/4885USP2 3010/4885

“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.