SCHEMBL1904804

SCHEMBL1904804

CCOC(=O)c1cnc(C(C)(C)C)nc1OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 4/20 0.53
JUN P05412 4/20 0.53
NFKB1 P19838 4/20 0.53
NFKB2 Q00653 4/20 0.53
RELA Q04206 4/20 0.53
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.45
POLB P06746 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL15633218 0.90 FOS (0.52) FOSJUNNFKB1NFKB2RELA
SCHEMBL3283794 0.87 JUN (0.58) FOSJUNNFKB1NFKB2RELA
SCHEMBL574247 0.84 FOS (0.54) FOSJUNNFKB1NFKB2RELA
SCHEMBL21341724 0.84 KDM4E (0.55) FOSJUNNFKB1NFKB2RELA
SCHEMBL573798 0.82 ALDH1A1 (0.54) FOSJUNNFKB1NFKB2RELA
SCHEMBL17647904 0.82 FOS (0.46) FOSJUNNFKB1NFKB2RELA
SCHEMBL3283452 0.81 ALDH1A1 (0.50) FOSJUNNFKB1NFKB2RELA
SCHEMBL3278900 0.80 CYP1A2 (0.48) KDM4ECYP1A2POLBCYP2C9CYP2C19
SCHEMBL5062196 0.80 KDM4E (0.69) FOSJUNNFKB1NFKB2RELA
SCHEMBL11358294 0.79 FOS (0.51) FOSJUNNFKB1NFKB2RELA

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-8513239-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2203437-B1 CHIRAL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
EP-2325180-A1 Chiral CIS-imidazolines F. Hoffmann-La Roche AG (CH) 2011-05-25 EP disclosed
EP-2203437-A1 CHIRAL CIS-IMIDAZOLINES F. Hoffmann-Roche AG (CH) 2010-07-07 EP disclosed
US-7705007-B2 Cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES HOFFMANN-LA ROCHE, INC. 2009-04-30 US disclosed
WO-2009047161-A1 CHIRAL CIS-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-16 WO disclosed
EP-1979338-A1 CIS-4, 5-BIARYL-2-HETEROCYCLIC-IMIDAZOLINES AS MDM2 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082805-A1 CIS-4, 5-BIARYL-2-HETEROCYCLIC-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
US-20070167437-A1 Cis-imidazolines FOTOUHI NADER 2007-07-19 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 (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-20090111789-A1 CHIRAL CIS-IMIDAZOLINES FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 FOS 3644/4885JUN 3560/4885NFKB1 551/4885
US-20070167437-A1 Cis-imidazolines CCNI, CCNE1, CCNA1 FOS 2204/4885JUN 2217/4885NFKB1 1337/4885

“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.