SCHEMBL346826

SCHEMBL346826

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C1CC1)CC2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
GPR119 Q8TDV5 5/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PREP P48147 1/20 0.43
EPHX2 P34913 1/20 0.43
CYP11B2 P19099 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL27162932 0.91 GPR119 (0.43) HPGDGPR119USP2SMN1; SMN2HRH3
SCHEMBL940349 0.90 HRH3 (0.48) HPGDGPR119USP2SMN1; SMN2HRH3
SCHEMBL16058261 0.89 HRH3 (0.43) HPGDUSP2SMN1; SMN2HRH3RECQL
SCHEMBL346048 0.87 GPR119 (0.39) HPGDGPR119USP2SMN1; SMN2HRH3
SCHEMBL16059977 0.87 CYP11B2 (0.46) HPGDHRH3EPHX1CHRM2CHRM1
SCHEMBL485035 0.86 GPR119 (0.44) HPGDGPR119USP2SMN1; SMN2HRH3
SCHEMBL14027023 0.85 HRH3 (0.46) HPGDHRH3EPHX1CYP11B2
SCHEMBL63877 0.85 USP2 (0.53) HPGDGPR119USP2SMN1; SMN2RECQL
SCHEMBL346995 0.85 USP2 (0.56) HPGDGPR119USP2SMN1; SMN2RECQL
SCHEMBL15244404 0.84 RECQL (0.49) HPGDGPR119USP2SMN1; SMN2HRH3

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-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-8609681-B2 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2013-12-17 US disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US 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-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP HPGD 231/4885GPR119 4318/4885USP2 763/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP HPGD 231/4885GPR119 4318/4885USP2 763/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP HPGD 231/4885GPR119 4318/4885USP2 763/4885

“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.