SCHEMBL3413089

SCHEMBL3413089

CCOC(=O)C(=CN(C)C)C(=O)c1ccc(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP11B1 P15538 6/20 0.45
CYP11B2 P19099 6/20 0.45
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.38
GLA P06280 1/20 0.38
TLR4 O00206 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3413087 1.00 MAPT (0.47) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL13885870 0.87 POLB (0.52) MAPTMEN1KMT2ANPSR1CYP11B1
SCHEMBL10513808 0.87 POLB (0.52) MAPTMEN1KMT2ANPSR1CYP11B1
SCHEMBL6016403 0.87 MAPT (0.49) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL27976767 0.87 CYP11B1 (0.52) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL6016401 0.87 MAPT (0.49) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL3411087 0.85 MEN1 (0.47) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL3411086 0.85 MEN1 (0.47) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL10475316 0.85 MEN1 (0.47) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL3294956 0.85 MAPT (0.49) MAPTMEN1KMT2ALMNACYP1A2

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 10 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
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 US disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 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 MAPT 23/4885MEN1 1852/4885KMT2A 2755/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB MAPT 24/4885MEN1 1873/4885KMT2A 2670/4885

“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.