SCHEMBL3555667

SCHEMBL3555667

CCCC(N)OC(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GRIK2 Q13002 1/20 0.33
FAAH O00519 8/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 3/20 0.32
ALDH1A1 P00352 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
SCHEMBL28317076 0.89 SLC1A2 (0.41) GRIK1SLC1A3SLC1A2SLC1A1GRIK2
SCHEMBL2158216 0.87 GRIK1 (0.42) GRIK1SLC1A2SLC1A1GRIK2FAAH
SCHEMBL3963136 0.85 GRIK1 (0.41) GRIK1SLC1A2SLC1A1GRIK2FAAH
SCHEMBL28283750 0.85 GRIK1 (0.44) GRIK1SLC1A2SLC1A1GRIK2FAAH
SCHEMBL28740120 0.85 GRIK1 (0.32) GRIK1SLC1A3SLC1A2SLC1A1GRIK2
SCHEMBL906263 0.83 FAAH (0.30) FAAH
SCHEMBL28159126 0.83
SCHEMBL28245268 0.82 GABRR1 (0.31)
SCHEMBL17545272 0.79 CHRM1 (0.34) FAAHCHRM1AKR1A1CHRM3HTR2A
SCHEMBL9116979 0.79 CES2 (0.51) FAAHCES2CES1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114395119-A Binary copolymerization perfluoropolyether and preparation method thereof 西安近代化学研究所 2022-04-26 CN claimed
CN-114395117-A Double-end perfluoropolyether and preparation method thereof 西安近代化学研究所 2022-04-26 CN claimed
CN-114395119-A Binary copolymerization perfluoropolyether and preparation method thereof 西安近代化学研究所 2022-04-26 CN disclosed
CN-114395117-A Double-end perfluoropolyether and preparation method thereof 西安近代化学研究所 2022-04-26 CN disclosed
CN-105837608-B Proteasome inhibitor and combinations thereof and purposes 米伦纽姆医药公司 2018-06-08 CN disclosed
US-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 US disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 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-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 GRIK1 2970/4885SLC1A3 4657/4885SLC1A2 4499/4885

“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.