SCHEMBL3542006

SCHEMBL3542006

CN(C)CC(C)(C)CNC(=O)c1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
ESRRG P62508 1/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP2C19 P33261 2/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
TSHR P16473 1/20 0.49
ACHE P22303 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 2/20 0.49
HIF1A Q16665 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL14500184 0.86 NPC1 (0.50) EPHX2LMNAALDH1A1CYP2C19KDM4E
SCHEMBL19302966 0.83 EPHX2 (0.55) EPHX2ESRRGLMNAALDH1A1CYP2C19
SCHEMBL3115266 0.82 KDM4E (0.48) EPHX2LMNAALDH1A1CYP2C19TSHR
SCHEMBL4483901 0.82 HDAC1 (0.54) MAPK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3543155 0.81 CYP2D6 (0.52) EPHX2LMNAALDH1A1CYP2C19KDM4E
SCHEMBL14023403 0.79 KDM4E (0.58) LMNAALDH1A1CYP2C19TSHRKDM4E
SCHEMBL3541043 0.79 HTR4 (0.45) EPHX2ALDH1A1CYP2C19KDM4EGAA
SCHEMBL14220973 0.77 HTT (0.51) EPHX2LMNAALDH1A1CYP2C19KDM4E
SCHEMBL23139634 0.77 KDM4E (0.52) EPHX2LMNAALDH1A1CYP2C19MAPK1
SCHEMBL13162252 0.77 KDM4E (0.52) ALDH1A1CYP2C19TSHRMAPK1KDM4E

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
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 EPHX2 1438/4885ESRRG 1749/4885LMNA 1996/4885

“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.