SCHEMBL439101

SCHEMBL439101

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADCY1 Q08828 3/20 0.34
ADCY8 P40145 2/20 0.34
MEN1 O00255 2/20 0.33
DPP4 P27487 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA1 P30542 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
SCHEMBL407963 1.00 PKM (0.47) PKML3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL408252 0.88 PKM (0.43) PKML3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL438512 0.88 PKM (0.43) PKML3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL406914 0.85 KMT2A (0.39) PKML3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL438289 0.85 KMT2A (0.39) PKML3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL408244 0.81 PKM (0.46) PKML3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL443006 0.81 PKM (0.46) PKML3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL442998 0.80 PKM (0.41) PKMKMT2ASMN1; SMN2ADCY1MEN1
SCHEMBL408407 0.80 PKM (0.41) PKMKMT2ASMN1; SMN2ADCY1MEN1
SCHEMBL439099 0.79 CCR5 (0.44) PKML3MBTL1ALDH1A1KMT2AMAPT

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 1 patent. 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

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 1657/4885L3MBTL1 1197/4885ALDH1A1 272/4885

“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.