SCHEMBL3410231

SCHEMBL3410231

CCOC(=O)C(=CN(C)C)C(=O)c1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 5/20 0.47
CYP2C9 P11712 1/20 0.44
ELANE P08246 1/20 0.43
GSK3B P49841 2/20 0.43
CYP1A2 P05177 1/20 0.43
GRM5 P41594 1/20 0.43
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL3410229 1.00 PDCD1 (0.51) PDCD1CD274CYP11B1CYP11B2CYP2C9
SCHEMBL16110238 0.85 PDCD1 (0.53) PDCD1CD274CYP11B1CYP11B2CYP2C9
SCHEMBL23839946 0.85 PDCD1 (0.53) PDCD1CD274CYP11B1CYP11B2CYP2C9
SCHEMBL30088421 0.85 PDCD1 (0.53) PDCD1CD274CYP11B1CYP11B2CYP2C9
SCHEMBL16110239 0.85 PDCD1 (0.53) PDCD1CD274CYP11B1CYP11B2CYP2C9
SCHEMBL3214756 0.83 PDCD1 (0.58) PDCD1CD274ELANEGSK3BCYP1A2
SCHEMBL31399052 0.83 CES2 (0.54) ELANEHPGDNPSR1MEN1KMT2A
SCHEMBL11380450 0.83 CES2 (0.54) ELANEHPGDNPSR1MEN1KMT2A
SCHEMBL19568985 0.83 CES2 (0.54) ELANEHPGDNPSR1MEN1KMT2A
SCHEMBL5478412 0.83 MEN1 (0.46) NPSR1MEN1KMT2AMAPT

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-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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 (2 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB PDCD1 2857/4885CD274 4371/4885CYP11B1 2133/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PDCD1 2678/4885CD274 4307/4885CYP11B1 2006/4885

“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.