SCHEMBL23866592

SCHEMBL23866592

CC(=O)NC[C@@H]1COCCN1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.46
▸ POLR1A O95602 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CALML3 P27482 1/20 0.36
▸ SDHA P31040 1/20 0.36
▸ IL1B P01584 2/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ FUCA1 P04066 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MTNR1A P48039 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ ENGASE Q8NFI3 1/20 0.33

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
SCHEMBL30741404 0.87 MALT1 (0.46) MALT1POLR1AIL1BP2RX7HTT
SCHEMBL28650867 0.84 MALT1 (0.44) MALT1POLR1ALMNAIL1BP2RX7
SCHEMBL22519390 0.83 MALT1 (0.43) MALT1POLR1AIL1BP2RX7HTT
SCHEMBL23866586 0.83 MALT1 (0.43) MALT1POLR1AIL1BP2RX7HTT
SCHEMBL16791399 0.81 MALT1 (0.43) MALT1POLR1ALMNAIL1BP2RX7
SCHEMBL28185087 0.81 PDK1 (0.36) MALT1NPSR1LMNAMAOAPTGS1
SCHEMBL25907215 0.77 PAOX (0.36) MALT1POLR1AIL1BP2RX7HTT
SCHEMBL22010188 0.77 MALT1 (0.37) MALT1POLR1AIL1B
SCHEMBL21610612 0.77 MALT1 (0.37) MALT1POLR1AIL1B
SCHEMBL18256577 0.77 MALT1 (0.37) MALT1POLR1AIL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 — — US 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 MALT1 505/4885POLR1A 1057/4885NPSR1 951/4885

“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.

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