SCHEMBL3278900

SCHEMBL3278900

CCOC(=O)c1cnc(OCC)nc1OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 4/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 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
SCHEMBL11358294 0.86 FOS (0.51) CYP1A2POLBL3MBTL1CYP2C9CYP2C19
SCHEMBL3283452 0.85 ALDH1A1 (0.50) CYP1A2POLBL3MBTL1CYP2C9CYP2C19
SCHEMBL4769593 0.85 MAPT (0.56) HSP90AA1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL5768324 0.84 HSP90AA1 (0.48) L3MBTL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL11790304 0.84 HSP90AA1 (0.48) L3MBTL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL28777605 0.83 MAPK8 (0.45) CYP1A2POLBL3MBTL1CYP2C9CYP2C19
SCHEMBL10995375 0.83 HSP90AA1 (0.65) CYP1A2POLBL3MBTL1CYP2C9CYP2C19
SCHEMBL11098691 0.83 ALDH1A1 (0.56) CYP1A2POLBHSP90AA1KDM4EALDH1A1
SCHEMBL1992777 0.83 RAB9A (0.60) CYP1A2L3MBTL1CYP2C9CYP2C19HSP90AA1
SCHEMBL25213083 0.81 CYP1A2 (0.43) CYP1A2POLBL3MBTL1CYP2C9CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558572-B1 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-30 EP disclosed
US-7705007-B2 Cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US 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
EP-1558572-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 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-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA CYP1A2 277/4885POLB 869/4885L3MBTL1 4857/4885
US-20070167437-A1 Cis-imidazolines CCNI, CCNE1, CCNA1 CYP1A2 196/4885POLB 2052/4885L3MBTL1 1273/4885

“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.