SCHEMBL336548

SCHEMBL336548

CCOC(=O)C1(CCOC)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.47
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL747765 0.93 ALDH1A1 (0.51) MAPK1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL2799709 0.88 PKM (0.47) MAPK1KDM4EMEN1KMT2AMAPT
SCHEMBL415499 0.88 MEN1 (0.42) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL606159 0.88 USP2 (0.42) MAPK1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL1446529 0.88 MAPK1 (0.41) MAPK1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6187331 0.87 CYP4F2 (0.46) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL8404829 0.86 ALDH1A1 (0.46) MAPK1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6186611 0.86 MEN1 (0.41) MAPK1MEN1KMT2AL3MBTL1MAPT
SCHEMBL1440150 0.86 MEN1 (0.41) MAPK1KDM4EMEN1KMT2AMAPT
SCHEMBL7443750 0.86 CYP4F2 (0.45) MEN1KMT2AMAPTALDH1A1LMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507239-B1 AZACYCLIC SPIRO DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-03-13 EP disclosed
EP-2507239-B1 AZACYCLIC SPIRO DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-03-13 EP disclosed
EP-2558464-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8389539-B2 Azacyclic derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389539-B2 Azacyclic derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389539-B2 Azacyclic derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2558464-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2507239-A1 AZACYCLIC SPIRO DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP 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
WO-2011067166-A1 AZACYCLIC SPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
WO-2011067166-A1 AZACYCLIC SPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 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 (3 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-20110130417-A1 NEW AZACYCLIC DERIVATIVES AZI2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A1 MAPK1 3873/4885KDM4E 817/4885MEN1 379/4885
US-20110257212-A1 NEW AZACYCLIC DERIVATIVES LIPE, GPR119, LPL MAPK1 2881/4885KDM4E 336/4885MEN1 2696/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL MAPK1 2258/4885KDM4E 905/4885MEN1 2464/4885

“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.