SCHEMBL408252

SCHEMBL408252

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ENPP2 Q13822 1/20 0.37
ADCY1 Q08828 4/20 0.37
ADCY8 P40145 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CNR2 P34972 1/20 0.35
DPP4 P27487 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
EPHX2 P34913 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
SCHEMBL438512 1.00 PKM (0.43) PKMENPP2ADCY1ADCY8L3MBTL1
SCHEMBL407963 0.88 PKM (0.47) PKMADCY1ADCY8L3MBTL1ALDH1A1
SCHEMBL439101 0.88 PKM (0.47) PKMADCY1ADCY8L3MBTL1ALDH1A1
SCHEMBL443006 0.83 PKM (0.46) PKMADCY1L3MBTL1ALDH1A1KMT2A
SCHEMBL408244 0.83 PKM (0.46) PKMADCY1L3MBTL1ALDH1A1KMT2A
SCHEMBL442998 0.82 PKM (0.41) PKMADCY1KMT2AMEN1NPSR1
SCHEMBL408407 0.82 PKM (0.41) PKMADCY1KMT2AMEN1NPSR1
SCHEMBL439099 0.81 CCR5 (0.44) PKMADCY1L3MBTL1ALDH1A1KMT2A
SCHEMBL406928 0.81 CCR5 (0.44) PKMADCY1L3MBTL1ALDH1A1KMT2A
SCHEMBL29988139 0.80 ADCY1 (0.36) PKMADCY1ADCY8DPP4PDK1

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 1657/4885ENPP2 709/4885ADCY1 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.