SCHEMBL3006629

SCHEMBL3006629

O=C1C=CC(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 0.58
FAAH O00519 5/20 0.58
HSP90AA1 P07900 2/20 0.58
PKM P14618 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
CCR6 P51684 1/20 0.58
ATM Q13315 1/20 0.58
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2491247 0.81 MGLL (0.60) MGLLFAAHHSP90AA1PKMMEN1
SCHEMBL8026859 0.81 MGLL (0.63) MGLLFAAHHSP90AA1PKMMEN1
SCHEMBL28752498 0.80 MGLL (0.62) MGLLFAAHHSP90AA1PKMMEN1
SCHEMBL29510581 0.80 MGLL (0.62) MGLLFAAHHSP90AA1PKMMEN1
SCHEMBL24997232 0.79 POLB (0.59) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL21383412 0.79 L3MBTL1 (0.54) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL331752 0.77 MGLL (0.84) MGLLFAAHHSP90AA1PKMMEN1
SCHEMBL4385482 0.77 MGLL (0.84) MGLLFAAHHSP90AA1PKMMEN1
SCHEMBL487033 0.77 MGLL (0.84) MGLLFAAHHSP90AA1PKMMEN1
SCHEMBL28745022 0.77 MEN1 (0.49) MEN1KMT2APOLBL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114432301-B Covalent inhibitor derivative and application thereof in treatment of viral infection 北京大学 2024-05-31 CN disclosed
CN-114432301-A Covalent inhibitor derivative and application thereof in treating virus infection 北京大学 2022-05-06 CN 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-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
US-7787085-B2 Optical alignment method and liquid crystal display element JSR CORPORATION (JP) 2010-08-31 US disclosed
CN-100412161-C Liquid crystal aligning agent and liquid crystal display element JSR CORP (JP) 2008-08-20 CN disclosed
US-20080123046-A1 OPTICAL ALIGNMENT METHOD AND LIQUID CRYSTAL DISPLAY ELEMENT JSR CORPORATION (JP) 2008-05-29 US disclosed
CN-100344731-C Liquid crystal aligning agent and liquid crystal display element JSR CORP (JP) 2007-10-24 CN disclosed
US-7074344-B2 Liquid crystal aligning agent and liquid crystal display element JSR CORPORATION (JP) 2006-07-11 US disclosed
CN-1721502-A Liquid crystal aligning agent and liquid crystal display element JSR CORP (JP) 2006-01-18 CN disclosed
US-20050259203-A1 Optical alignment method and liquid crystal display element JSR CORPORATION (JP) 2005-11-24 US disclosed
EP-1353217-A1 Optical alignment method and liquid crystal display element JSR Corporation (JP) 2003-10-15 EP disclosed
US-20030087045-A1 Liquid crystal aligning agent and liquid crystal display element JSR CORPORATION (JP) 2003-05-08 US disclosed
CN-1408817-A Liquid crystal aligning agent and liquid crystal display element JSR CORP (JP) 2003-04-09 CN 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 MGLL 8/4885FAAH 223/4885HSP90AA1 3131/4885

“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.