SCHEMBL21963178

SCHEMBL21963178

NC(=O)Oc1c2c(nc3c1CCC3)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 1/20 0.45
BPTF Q12830 1/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
KDM4E B2RXH2 7/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
LMNA P02545 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
SCHEMBL21963393 0.82 GAA (0.35) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL31475665 0.81 GAA (0.38) ACHEMEN1KMT2AGAACYP1A2
SCHEMBL28923121 0.78 SMN1; SMN2 (0.40) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL28641253 0.78 NPSR1 (0.38) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL28611930 0.77 KDM4E (0.38) ACHEKMT2AMAPK1GAACYP1A2
SCHEMBL21963248 0.77 EEF2K (0.39) ACHEGAACYP1A2KDM4ENPSR1
SCHEMBL9204295 0.75 ALDH1A1 (0.57) ACHEMEN1KMT2AMAPK1GAA
SCHEMBL28797271 0.73 NLRP3 (0.43) MEN1KMT2AALDH1A1
SCHEMBL22019806 0.71 GAA (0.59) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL28625362 0.69 ALDH1A1 (0.36) ACHEMEN1KMT2AKDM4EMAPT

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
EP-3880660-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP 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 (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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ACHE 4177/4885MEN1 3390/4885KMT2A 4441/4885

“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.