SCHEMBL441162

SCHEMBL441162

COC(=O)C1CCC(c2nnc(C3CC3(F)F)o2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.37
PKM P14618 1/20 0.35
ADCY1 Q08828 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADCY8 P40145 1/20 0.32
ADORA1 P30542 1/20 0.32
DPP4 P27487 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LIPG Q9Y5X9 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
SCHEMBL408392 1.00 EPHX2 (0.37) EPHX2PKMADCY1MEN1KMT2A
SCHEMBL442998 0.87 PKM (0.41) EPHX2PKMADCY1MEN1KMT2A
SCHEMBL408407 0.87 PKM (0.41) EPHX2PKMADCY1MEN1KMT2A
SCHEMBL29988175 0.85 PKM (0.36) EPHX2PKMADCY1MEN1KMT2A
SCHEMBL408292 0.83 EPHX2 (0.37) EPHX2ADCY1
SCHEMBL462875 0.83 EPHX2 (0.37) EPHX2ADCY1
SCHEMBL408402 0.80 PKM (0.38) EPHX2PKMADCY1MEN1KMT2A
SCHEMBL437764 0.80 PKM (0.38) EPHX2PKMADCY1MEN1KMT2A
SCHEMBL29988139 0.80 ADCY1 (0.36) EPHX2PKMADCY1MEN1KMT2A
SCHEMBL441026 0.79 PKM (0.39) EPHX2PKMADCY1MEN1KMT2A

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
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
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 1660/4885PKM 1657/4885ADCY1 1709/4885

“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.