SCHEMBL29197752

SCHEMBL29197752

O=C(O)CN1CCC(c2ccc(C3(F)CCC(=O)NC3=O)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 5/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
JAK2 O60674 1/20 0.37
SYK P43405 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL30112386 0.95 IKZF2 (0.41) CXCR3TLR9TLR8TLR7SIGMAR1
SCHEMBL24881321 0.85 CRBN (0.39) CXCR3
SCHEMBL24881322 0.81 TLR9 (0.36) TLR9TLR8TLR7SIGMAR1JAK2
SCHEMBL24125612 0.78 CRBN (0.54) JAK2SYK
SCHEMBL31382219 0.78 CRBN (0.54) JAK2SYK
SCHEMBL24881330 0.77 HTR2C (0.42) SIGMAR1
SCHEMBL27073454 0.77 HTR2C (0.42) SIGMAR1
Hydrochloric Acid SCHEMBL31382362 0.77 CRBN (0.52) JAK2SYK
Hydrochloric Acid SCHEMBL25173203 0.77 CRBN (0.52) JAK2SYK
SCHEMBL27039451 0.77 DDB1 (0.54) JAK2

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-20240343733-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS C4 THERAPEUTICS, INC. 2024-10-17 US disclosed
CN-117940414-A Compounds for targeting IRAK4 protein degradation 渤健马萨诸塞州股份有限公司 2024-04-26 CN 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-20240343733-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS IRAK4, IRAK2, IRAK1 CXCR3 4500/4885TLR9 224/4885TLR8 155/4885

“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.