SCHEMBL2826407

SCHEMBL2826407

C=CCOC1CN(C(=O)OC(C)(C)C)CCC1(OC)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4B Q07343 1/20 0.33
EPHX2 P34913 1/20 0.33
HPGD P15428 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
EPHX1 P07099 1/20 0.32
BACE1 P56817 2/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL2825447 0.87 NR1H2 (0.35) NR1H2MAPTMEN1ALDH1A1KMT2A
SCHEMBL2825450 0.87 NR1H2 (0.35) NR1H2MAPTMEN1ALDH1A1KMT2A
SCHEMBL2828216 0.85 NR1H2 (0.39) NR1H2MAPTMEN1ALDH1A1KMT2A
SCHEMBL15251321 0.84 NR1H2 (0.36) NR1H2MAPTMEN1ALDH1A1KMT2A
SCHEMBL2822104 0.84
SCHEMBL3026628 0.82 USP2 (0.41) NR1H2MAPTMEN1ALDH1A1KMT2A
SCHEMBL2821808 0.82 NR1H2 (0.36) NR1H2MAPTMEN1ALDH1A1KMT2A
SCHEMBL2822607 0.82 NR1H2 (0.36) NR1H2MAPTMEN1ALDH1A1KMT2A
SCHEMBL2826710 0.80 NR1H2 (0.35) NR1H2MAPTMEN1ALDH1A1KMT2A
SCHEMBL2825203 0.78 USP2 (0.37) NR1H2MAPTMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A NR1H2 3553/4885MAPT 1455/4885MEN1 3960/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A NR1H2 3579/4885MAPT 1979/4885MEN1 3629/4885

“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.