SCHEMBL336317

SCHEMBL336317

CCOC(=O)C1(CCOC)CCNC(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 1/20 0.39
POLB P06746 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38

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
SCHEMBL10036712 0.87 CYP4F2 (0.35) KDM4EMAPK1MEN1KMT2AL3MBTL1
SCHEMBL743660 0.80 MAPK1 (0.53) KDM4EMAPK1MEN1KMT2AL3MBTL1
SCHEMBL4518 0.76 MAPK1 (0.52) KDM4EMAPK1MEN1KMT2AL3MBTL1
SCHEMBL8300402 0.75 POLB (0.45) KDM4EMEN1KMT2AMAPTATM
SCHEMBL26415066 0.74 CYP4F2 (0.34) KDM4ELMNAOPRM1POLBSMYD3
SCHEMBL336508 0.72 KDM4E (0.49) KDM4EMAPK1MEN1KMT2AL3MBTL1
SCHEMBL744367 0.71 MAPK1 (0.45) KDM4EMAPK1MEN1KMT2AL3MBTL1
SCHEMBL5765 0.71 KDM4E (0.51) KDM4EMAPK1MEN1KMT2AL3MBTL1
SCHEMBL13282000 0.70 MAPK1 (0.44) KDM4EMAPK1MEN1KMT2AL3MBTL1
SCHEMBL747716 0.70 KDM4E (0.43) KDM4EMAPK1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558464-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
EP-2558464-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
US-8097634-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
US-8097634-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
US-8097634-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
WO-2011128316-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110257212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 US disclosed
US-20110257212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 US disclosed
US-20110257212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 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-20110257212-A1 NEW AZACYCLIC DERIVATIVES LIPE, GPR119, LPL KDM4E 336/4885MAPK1 2881/4885MEN1 2696/4885

“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.