SCHEMBL20439150

SCHEMBL20439150

CC(C)(C)N1CCC(F)(F)C(O)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRM1 P35372 1/20 0.32
GRIN1 Q05586 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 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
SCHEMBL20434847 0.82 GRIN2D (0.31) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL23277846 0.79 ATM (0.31)
SCHEMBL10205043 0.78 GRIN2D (0.32) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12139064 0.77 GRIN2D (0.30) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL27023112 0.76 GRIN2D (0.32) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL24429408 0.76 GRIN2D (0.35) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL23594414 0.76 ATM (0.30)
SCHEMBL23594430 0.76 ATM (0.30)
SCHEMBL18365050 0.73 GRIN2D (0.30) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL2704498 0.73 ATM (0.31) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same Frequency Therapeutics, Inc. (US) 2021-07-20 US disclosed
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2020-10-08 US disclosed
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2019-11-21 US disclosed
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same Frequency Therapeutics, Inc. (US) 2019-08-20 US disclosed
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2018-08-02 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 (6 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-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 GRIN2D 2844/4885GRIN3B 3093/4885CHRM2 4804/4885
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MKI67, MCL1 GRIN2D 2885/4885GRIN3B 3443/4885CHRM2 4857/4885
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MCL1, MKI67 GRIN2D 3036/4885GRIN3B 2574/4885CHRM2 4737/4885
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same DCX, MKI67, MCL1 GRIN2D 2885/4885GRIN3B 3443/4885CHRM2 4857/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX GRIN2D 2376/4885GRIN3B 3486/4885CHRM2 4812/4885
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 GRIN2D 2844/4885GRIN3B 3093/4885CHRM2 4804/4885

“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.