SCHEMBL408402

SCHEMBL408402

COC(=O)[C@H]1CC[C@H](c2nnc(C3CCOCC3)o2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
TNKS O95271 1/20 0.37
ADCY1 Q08828 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 2/20 0.35
TP53 P04637 1/20 0.34
ADORA1 P30542 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 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
SCHEMBL437764 1.00 PKM (0.38) PKMTNKSADCY1SMN1; SMN2MEN1
SCHEMBL408407 0.92 PKM (0.41) PKMADCY1SMN1; SMN2MEN1KMT2A
SCHEMBL442998 0.92 PKM (0.41) PKMADCY1SMN1; SMN2MEN1KMT2A
SCHEMBL408403 0.83 PKM (0.39) PKMADCY1SMN1; SMN2MEN1KMT2A
SCHEMBL441026 0.83 PKM (0.39) PKMADCY1SMN1; SMN2MEN1KMT2A
SCHEMBL31705388 0.81 ADCY1 (0.38) PKMTNKSADCY1EPHX2NPSR1
SCHEMBL29988139 0.81 ADCY1 (0.36) PKMADCY1SMN1; SMN2MEN1KMT2A
SCHEMBL29988175 0.81 PKM (0.36) PKMADCY1SMN1; SMN2MEN1KMT2A
SCHEMBL408425 0.81 TNKS (0.39) TNKSADCY1MEN1KMT2AEPHX2
SCHEMBL440024 0.81 TNKS (0.39) TNKSADCY1MEN1KMT2AEPHX2

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 PKM 1657/4885TNKS 4718/4885ADCY1 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.