SCHEMBL25257331

SCHEMBL25257331

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
IDO1 P14902 2/20 0.44
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
CHRM3 P20309 1/20 0.41
FAAH O00519 2/20 0.41
SIGMAR1 Q99720 2/20 0.40
MGLL Q99685 2/20 0.38
HTR2A P28223 1/20 0.37
PKLR P30613 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL2940477 0.84 CTSL (0.57) NAAACTSLCTSBCTSKSIGMAR1
SCHEMBL25296129 0.82 CTSL (0.42) NAAAIDO1CTSLCTSBCTSK
SCHEMBL25300513 0.82 PRMT5 (0.44) IDO1CHRM3TACR1
SCHEMBL29497059 0.82 PRMT5 (0.44) IDO1CHRM3TACR1
SCHEMBL31381217 0.80 MGLL (0.57) NAAAIDO1FAAHSIGMAR1MGLL
SCHEMBL17099295 0.80 AGTR2 (0.47) NAAAIDO1SIGMAR1BDKRB2
SCHEMBL25298990 0.77 FFAR4 (0.46) NAAACTSLCTSBCTSKCHRM3
SCHEMBL3301301 0.77 IDO1 (0.36) NAAAIDO1CHRM3FAAHSIGMAR1
SCHEMBL25255578 0.76 CARM1 (0.40) NAAACTSLCTSBCTSKCHRM3
SCHEMBL17274394 0.74 CARM1 (0.44) NAAAIDO1CTSLCTSBCTSK

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 2 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

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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY NAAA 2475/4885IDO1 1398/4885CTSL 1320/4885

“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.