SCHEMBL2086997

SCHEMBL2086997

CC(C)(C)OC(=O)N=C1CNC(=O)N1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
ELANE P08246 2/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
CTRC Q99895 1/20 0.36
AKT1 P31749 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL2086996 1.00 GSK3A (0.49) GSK3AGSK3BHDAC1HDAC6L3MBTL1
SCHEMBL2087484 0.82 GSK3A (0.59) GSK3AGSK3BKMT2AALDH1A1ELANE
SCHEMBL2087485 0.82 GSK3A (0.59) GSK3AGSK3BKMT2AALDH1A1ELANE
SCHEMBL3318940 0.67 GSK3A (1.00) GSK3AGSK3BKMT2AALDH1A1ELANE
SCHEMBL6785489 0.65 KMT2A (0.47) HDAC1HDAC6L3MBTL1KMT2AALDH1A1
SCHEMBL7511311 0.65 CA12 (0.44) L3MBTL1ALDH1A1AKT1
SCHEMBL2085483 0.65 GSK3A (0.69) GSK3AGSK3BKMT2AALDH1A1ELANE
SCHEMBL4658933 0.65 GSK3A (0.69) GSK3AGSK3BKMT2AALDH1A1ELANE
SCHEMBL6283003 0.63 PLA2G10 (0.42) HDAC6L3MBTL1KMT2AALDH1A1OPRD1
SCHEMBL29048164 0.63 SMN1; SMN2 (0.57) L3MBTL1KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053918-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-03-03 US disclosed
EP-2178857-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-04-28 EP disclosed
WO-2009005729-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-01-08 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 (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-20110053918-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 GSK3A 149/4885GSK3B 151/4885HDAC1 547/4885

“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.