SCHEMBL25300513

SCHEMBL25300513

CC(C)(C)OC(=O)N1CC(OCc2cccc(I)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
CHRM3 P20309 1/20 0.41
NAMPT P43490 1/20 0.41
USP30 Q70CQ3 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
BACE1 P56817 2/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
STS P08842 1/20 0.39
NR1H2 P55055 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
IDO1 P14902 2/20 0.38
TACR1 P25103 2/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL29497059 1.00 PRMT5 (0.44) PRMT5WDR77CHRM3NAMPTUSP30
SCHEMBL22290386 0.86 USP30 (0.46) PRMT5WDR77CHRM3NAMPTUSP30
SCHEMBL25295010 0.85 PRMT5 (0.44) PRMT5WDR77NAMPTBACE1BACE2
SCHEMBL9938446 0.85 PRMT5 (0.51) PRMT5WDR77NAMPTUSP30JAK2
SCHEMBL30334881 0.84 MGLL (0.50) CHRM3TACR1RORC
SCHEMBL24168673 0.84 MGLL (0.50) CHRM3TACR1RORC
SCHEMBL25257331 0.82 NAAA (0.44) CHRM3IDO1TACR1
SCHEMBL25297006 0.81 PRMT5 (0.41) PRMT5WDR77CHRM3NAMPTUSP30
SCHEMBL29496997 0.81 PRMT5 (0.41) PRMT5WDR77CHRM3NAMPTUSP30
SCHEMBL25259842 0.80 GPR119 (0.41) PRMT5WDR77CHRM3BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 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 (2 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY PRMT5 949/4885WDR77 3761/4885CHRM3 1040/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY PRMT5 949/4885WDR77 3761/4885CHRM3 1040/4885

“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.