SCHEMBL26940536

SCHEMBL26940536

COC(=O)[C@@H]1C[C@H](Oc2cccc(Br)c2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.46
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
MCL1 Q07820 11/20 0.44
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
USP30 Q70CQ3 1/20 0.41
PTPN1 P18031 1/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
UCHL1 P09936 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
SCHEMBL26940527 1.00 P2RX3 (0.46) P2RX3NR1H2NR1H3MCL1KCNH2
SCHEMBL31336371 1.00 P2RX3 (0.46) P2RX3NR1H2NR1H3MCL1KCNH2
SCHEMBL3862645 0.89 P2RX3 (0.47) P2RX3NR1H2NR1H3MCL1KCNH2
SCHEMBL31439803 0.89 MCL1 (0.45) MCL1KCNH2HRH3USP30BCL2
SCHEMBL29523919 0.88 NR1H2 (0.47) P2RX3NR1H2NR1H3MCL1KCNH2
SCHEMBL30530834 0.88 NR1H2 (0.47) P2RX3NR1H2NR1H3MCL1KCNH2
SCHEMBL24739408 0.88 HRH3 (0.54) P2RX3NR1H2NR1H3MCL1KCNH2
SCHEMBL13481692 0.88 P2RX3 (0.51) P2RX3NR1H2NR1H3MCL1KCNH2
SCHEMBL12589826 0.88 P2RX3 (0.51) P2RX3NR1H2NR1H3MCL1KCNH2
SCHEMBL1198567 0.88 P2RX3 (0.51) P2RX3NR1H2NR1H3MCL1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
US-20260070927-A1 INDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
EP-4536662-A1 INDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2025-04-16 EP disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023237457-A1 INDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-12-14 WO disclosed
WO-2023237457-A1 INDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-12-14 WO disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO 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-20260070927-A1 INDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE MALT1, CCR1, CCR6 P2RX3 2519/4885NR1H2 877/4885NR1H3 886/4885

“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.