SCHEMBL3943692

SCHEMBL3943692

CC(C)C1(C(C)C)CC(=O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDK4 Q16654 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BUB1 O43683 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
ATM Q13315 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL2796099 0.80 BUB1 (0.39) GRIN2BGRIN2CMAPTMAPK1ALDH1A1
SCHEMBL17628910 0.79 GRIN2B (0.38) GRIN2BGRIN2CMAPTMAPK1USP2
SCHEMBL20765968 0.79 USP2 (0.36) GRIN2BGRIN2CMAPTMAPK1USP2
SCHEMBL25870136 0.78 BUB1 (0.37) GRIN2BGRIN2CMAPTMAPK1ALDH1A1
SCHEMBL28207775 0.78 BUB1 (0.37) GRIN2BGRIN2CMAPTMAPK1ALDH1A1
SCHEMBL4485043 0.77 GRIN2B (0.39) GRIN2BGRIN2CMAPTUSP2SMN1; SMN2
SCHEMBL28484527 0.77 BUB1 (0.36) GRIN2BGRIN2CMAPTMAPK1ALDH1A1
SCHEMBL4486810 0.75 JAK3 (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2BUB1
SCHEMBL15447130 0.75 GRIN2B (0.47) GRIN2BGRIN2CHTTMAPTMAPK1
SCHEMBL30748495 0.73 DDB1 (0.34) GRIN2BGRIN2CMAPTMAPK1USP2

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-2049517-B1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2013-11-27 EP disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
EP-2049517-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 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-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 GRIN2B 4138/4885GRIN2C 4551/4885HTT 1058/4885

“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.