SCHEMBL407345

SCHEMBL407345

COC(=O)[C@H]1CC[C@H](c2nnc(C(C)C)o2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
ADCY1 Q08828 3/20 0.36
EPHX2 P34913 4/20 0.35
CTSK P43235 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ENPP2 Q13822 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA1 P30542 1/20 0.33
TP53 P04637 1/20 0.33
DPP4 P27487 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL441068 1.00 PKM (0.37) PKMADCY1EPHX2CTSKKMT2A
SCHEMBL442998 0.86 PKM (0.41) PKMADCY1EPHX2KMT2AMEN1
SCHEMBL408407 0.86 PKM (0.41) PKMADCY1EPHX2KMT2AMEN1
SCHEMBL407984 0.84 ENPP2 (0.35) ADCY1EPHX2KMT2AMEN1SMN1; SMN2
SCHEMBL408780 0.84 ENPP2 (0.35) ADCY1EPHX2KMT2AMEN1SMN1; SMN2
SCHEMBL12940206 0.81 ALDH1A1 (0.34) ADCY1EPHX2ENPP2KDM4E
SCHEMBL408403 0.81 PKM (0.39) PKMADCY1EPHX2KMT2AMEN1
SCHEMBL441026 0.81 PKM (0.39) PKMADCY1EPHX2KMT2AMEN1
SCHEMBL440047 0.80 EPHX2 (0.34) EPHX2CTSKKMT2A
SCHEMBL407388 0.80 EPHX2 (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 2 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

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 PKM 1657/4885ADCY1 1709/4885EPHX2 1660/4885

“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.