SCHEMBL745022

SCHEMBL745022

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.47
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
RAB9A P51151 1/20 0.41

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
SCHEMBL744733 0.88 MEN1 (0.57) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL336548 0.82 MAPK1 (0.54) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL743451 0.81 ALDH1A1 (0.55) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL744162 0.78 MAPK1 (0.55) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL747765 0.75 ALDH1A1 (0.51) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL743660 0.72 MAPK1 (0.53) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL4518 0.71 MAPK1 (0.52) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL5180 0.71 MAPK1 (0.55) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL5752 0.71 MAPK1 (0.55) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL5270 0.71 MAPK1 (0.55) MEN1KMT2AMAPK1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP 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 (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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL MEN1 2464/4885KMT2A 830/4885MAPK1 2258/4885

“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.