SCHEMBL23388043

SCHEMBL23388043

COc1ccc(Br)c(COC2CCCCO2)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
CREBBP Q92793 1/20 0.30
TXNRD1 Q16881 1/20 0.30

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
SCHEMBL29749517 1.00 NPC1 (0.42) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL19715580 0.88 KDM4C (0.41) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL28796337 0.88 NPC1 (0.50) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL29749639 0.88 NPC1 (0.50) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL23387990 0.82 NPC1 (0.40) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL7482938 0.80 NPC1 (0.46) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL19127703 0.77 NPC1 (0.51) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL3889222 0.76 KDM4C (0.46) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL19715695 0.75 KDM4C (0.35) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL17878832 0.75 KDM4C (0.43) NPC1RAB9AKDM4CL3MBTL1MEN1

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-12503471-B2 Triazatricycle compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2025-12-23 US disclosed
US-20230015242-A1 TRIAZATRICYCLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
EP-4061814-A1 TRIAZATRICYCLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2022-09-28 EP disclosed
CN-114667286-A Triazatricycles for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-06-24 CN disclosed
WO-2021099285-A1 TRIAZATRICYCLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-27 WO disclosed
WO-2021099285-A1 TRIAZATRICYCLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-27 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 (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-12503471-B2 Triazatricycle compounds for the treatment of autoimmune disease SSB, HLA-DRB1, PKD1 NPC1 922/4885RAB9A 1576/4885KDM4C 814/4885
US-20230015242-A1 TRIAZATRICYCLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, HLA-DRB1, PKD1 NPC1 922/4885RAB9A 1576/4885KDM4C 814/4885

“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.