SCHEMBL25296129

SCHEMBL25296129

O=C(O)N1CC(OCc2ccc(I)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
NAAA Q02083 5/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CYP3A4 P08684 2/20 0.38
IDO1 P14902 2/20 0.38
APP P05067 3/20 0.38
MGLL Q99685 1/20 0.35

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 0.85 CTSL (0.57) CTSLCTSBCTSKNAAAHRH3
SCHEMBL17274394 0.84 CARM1 (0.44) CTSLCTSBCTSKRXRARXRB
SCHEMBL16422780 0.84 NAAA (0.54) CTSLCTSBCTSKNAAA
SCHEMBL21618373 0.84 NAAA (0.54) CTSLCTSBCTSKNAAAHRH3
SCHEMBL25257331 0.82 NAAA (0.44) CTSLCTSBCTSKNAAAIDO1
SCHEMBL13519043 0.81 CTSL (0.42) CTSLCTSBCTSKNAAA
SCHEMBL25295010 0.80 PRMT5 (0.44)
SCHEMBL18764160 0.79 NAAA (0.62) NAAA
SCHEMBL27144034 0.79 CARM1 (0.49) NAAAHRH3
SCHEMBL25295332 0.77 PTPRZ1 (0.46) CTSLCTSBCTSKRXRANAAA

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 CTSL 1320/4885CTSB 899/4885CTSK 2274/4885

“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.