SCHEMBL440046

SCHEMBL440046

COC(=O)C1CCC(c2nnc(C(C)C)o2)NC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.34
CTSK P43235 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL407388 1.00 EPHX2 (0.34) EPHX2CTSKCHRNB2CHRNA4CHRNB4
SCHEMBL440047 1.00 EPHX2 (0.34) EPHX2CTSKCHRNB2CHRNA4CHRNB4
SCHEMBL407401 0.86 EPHX2 (0.34) EPHX2
SCHEMBL440322 0.84 EPHX2 (0.33) EPHX2
SCHEMBL440324 0.84 EPHX2 (0.33) EPHX2
SCHEMBL440323 0.84 EPHX2 (0.33) EPHX2
SCHEMBL407223 0.83 CHRNB2 (0.33) EPHX2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL441068 0.80 PKM (0.37) EPHX2CTSKKMT2A
SCHEMBL407345 0.80 PKM (0.37) EPHX2CTSKKMT2A
SCHEMBL408866 0.74 BRD4 (0.34) EPHX2CTSKKMT2A

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT EPHX2 1660/4885CTSK 3044/4885CHRNB2 3934/4885

“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.