SCHEMBL13835320

SCHEMBL13835320

C=CCCNc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.47
EPHX2 P34913 1/20 0.46
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KIF11 P52732 1/20 0.41
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL31497254 0.84 MAPT (0.51) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL2095008 0.80 MAPT (0.51) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL13836072 0.80 MEN1 (0.41) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL1360735 0.79 GAA (0.68) MAPTKMT2AMEN1RAB9AGAA
SCHEMBL2089756 0.78 MAPT (0.53) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL2094002 0.77 MAPT (0.49) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL6233494 0.77 POLB (0.58) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL13813682 0.77 MAPT (0.51) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL1948706 0.77 MAPT (0.51) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL6289309 0.77 MAPT (0.55) MAPTKMT2AHTTMEN1RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709984-B1 NEW HEXAHYDROCYCLOPENTAPYRROLONE, HEXAHYDROPYRROLOPYRROLONE, OCTAHYDROPYRROLOPYRIDINONE AND OCTAHYDROPYRIDINONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-03-18 EP disclosed
EP-2709984-B1 NEW HEXAHYDROCYCLOPENTAPYRROLONE, HEXAHYDROPYRROLOPYRROLONE, OCTAHYDROPYRROLOPYRIDINONE AND OCTAHYDROPYRIDINONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-03-18 EP disclosed
EP-2709984-A1 NEW HEXAHYDROCYCLOPENTAPYRROLONE, HEXAHYDROPYRROLOPYRROLONE, OCTAHYDROPYRROLOPYRIDINONE AND OCTAHYDROPYRIDINONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-03-26 EP disclosed
US-8501768-B2 Hexahydrocyclopentapyrrolone, hexahydropyrrolopyrrolone, octahydropyrrolopyridinone and octahydropyridinone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-8501768-B2 Hexahydrocyclopentapyrrolone, hexahydropyrrolopyrrolone, octahydropyrrolopyridinone and octahydropyridinone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-8501768-B2 Hexahydrocyclopentapyrrolone, hexahydropyrrolopyrrolone, octahydropyrrolopyridinone and octahydropyridinone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-20120295934-A1 New Hexahydrocyclopentapyrrolone, Hexahydropyrrolopyrrolone, Octahydropyrrolopyridinone and Octahydropyridinone Compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US disclosed
US-20120295934-A1 New Hexahydrocyclopentapyrrolone, Hexahydropyrrolopyrrolone, Octahydropyrrolopyridinone and Octahydropyridinone Compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US disclosed
US-20120295934-A1 New Hexahydrocyclopentapyrrolone, Hexahydropyrrolopyrrolone, Octahydropyrrolopyridinone and Octahydropyridinone Compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US disclosed
WO-2012156339-A1 NEW HEXAHYDROCYCLOPENTAPYRROLONE, HEXAHYDROPYRROLOPYRROLONE, OCTAHYDROPYRROLOPYRIDINONE AND OCTAHYDROPYRIDINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 WO disclosed
WO-2012156339-A1 NEW HEXAHYDROCYCLOPENTAPYRROLONE, HEXAHYDROPYRROLOPYRROLONE, OCTAHYDROPYRROLOPYRIDINONE AND OCTAHYDROPYRIDINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 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-20120295934-A1 New Hexahydrocyclopentapyrrolone, Hexahydropyrrolopyrrolone, Octahydropyrrolopyridinone and Octahydropyridinone Compounds LIPE, LIPC, PNLIP MAPT 4682/4885KMT2A 4093/4885HTT 2641/4885

“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.