SCHEMBL3405440

SCHEMBL3405440

CCOC(=O)C(=CN(C)C)C(=O)c1ccc(CCl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP2C9 P11712 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
DHODH Q02127 2/20 0.37
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
GAA P10253 2/20 0.35

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
SCHEMBL3405438 1.00 MEN1 (0.40) MEN1KMT2ACYP2C9CYP11B1CYP11B2
SCHEMBL3412173 0.86 CYP11B1 (0.54) MEN1KMT2ACYP2C9CYP11B1CYP11B2
SCHEMBL3565354 0.86 CYP11B1 (0.54) MEN1KMT2ACYP2C9CYP11B1CYP11B2
SCHEMBL3412170 0.86 CYP11B1 (0.54) MEN1KMT2ACYP2C9CYP11B1CYP11B2
SCHEMBL18017493 0.86 DHODH (0.50) MEN1KMT2ACYP2C9CYP11B1CYP11B2
SCHEMBL184027 0.86 DHODH (0.50) MEN1KMT2ACYP2C9CYP11B1CYP11B2
SCHEMBL184026 0.86 DHODH (0.50) MEN1KMT2ACYP2C9CYP11B1CYP11B2
SCHEMBL11388473 0.83 MAPT (0.56) MEN1KMT2ACYP2C9MAPTALDH1A1
SCHEMBL29254517 0.83 MAPT (0.56) MEN1KMT2ACYP2C9MAPTALDH1A1
SCHEMBL1012186 0.83 MAPT (0.56) MEN1KMT2ACYP2C9MAPTALDH1A1

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 MEN1 1852/4885KMT2A 2755/4885CYP2C9 4498/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB MEN1 1873/4885KMT2A 2670/4885CYP2C9 4410/4885

“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.