SCHEMBL2028828

SCHEMBL2028828

COCC(C)N(O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL16741372 0.77 CHRNB2 (0.35) THRBCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19814582 0.77 CHRNB2 (0.35) THRBCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16741679 0.77 CHRNB2 (0.35) THRBCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2024609 0.76 CHRNB2 (0.34) THRBCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2769713 0.74 THRB (0.32) THRBCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2026102 0.74 HDAC6 (0.33) THRBCHRNB2CHRNA4
SCHEMBL2026101 0.74 HDAC6 (0.33) THRBCHRNB2CHRNA4
SCHEMBL2421269 0.73
SCHEMBL3952686 0.73
SCHEMBL4972131 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516434-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
WO-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 WO disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S THRB 484/4885CHRNB2 2053/4885CHRNA4 1424/4885

“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.