SCHEMBL743694

SCHEMBL743694

CCOC(=O)C1(CCOC)CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
ATM Q13315 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52

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
SCHEMBL745232 0.93 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL745790 0.86 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8877337 0.84 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL8242347 0.82 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL6519623 0.80 CYP2D6 (0.56) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL6520785 0.80 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL609304 0.79 KDM4E (0.79) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6521662 0.75 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL743667 0.75 MAPK1 (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL744275 0.75 MAPK1 (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E

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 ALDH1A1 691/4885MAPT 4847/4885MEN1 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.