SCHEMBL22019771

SCHEMBL22019771

CC(C)c1c2c(nc3c1CCC3C)CCC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.36
▸ HRH2 P25021 5/20 0.36
▸ NLRP3 Q96P20 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ BPTF Q12830 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL22019998 1.00 HRH3 (0.36) HRH3HRH2NLRP3NPSR1MEN1
SCHEMBL24978209 1.00 HRH3 (0.36) HRH3HRH2NLRP3NPSR1MEN1
SCHEMBL22019993 0.84 HRH2 (0.35) HRH3HRH2
SCHEMBL24978131 0.84 HRH2 (0.35) HRH3HRH2
SCHEMBL22170105 0.78 ACHE (0.48) NPSR1MEN1KMT2AACHEMAPK1
SCHEMBL22020826 0.78 HRH3 (0.38) HRH3HRH2NLRP3MEN1KMT2A
SCHEMBL22019718 0.78 HRH3 (0.38) HRH3HRH2NLRP3MEN1KMT2A
SCHEMBL22021272 0.78 HRH3 (0.38) HRH3HRH2NLRP3MEN1KMT2A
SCHEMBL22020547 0.77 NPSR1 (0.36) NPSR1MEN1KMT2AACHEMAPK1
SCHEMBL24979122 0.77 ACHE (0.55) HRH3HRH2MEN1KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 — — US disclosed
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-12 — — US disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 — — 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 HRH3 2974/4885HRH2 1996/4885NLRP3 2/4885
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 HRH3 3108/4885HRH2 2179/4885NLRP3 2/4885

“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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