SCHEMBL21963085

SCHEMBL21963085

Nc1c2c(nc(C(F)(F)F)c1-c1ccc(F)c(F)c1)CCC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.42
BCHE P06276 10/20 0.42
GRIN1 Q05586 8/20 0.42
GRIN2A Q12879 8/20 0.42
KDM4E B2RXH2 1/20 0.38
ADORA2A P29274 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
BPTF Q12830 1/20 0.38
CHRM1 P11229 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL21963395 0.85 KDM4E (0.52) ACHEBCHEGRIN1GRIN2AKDM4E
SCHEMBL22021220 0.84 ACHE (0.47) ACHEBCHEGRIN1GRIN2AKDM4E
SCHEMBL30162742 0.84 ACHE (0.47) ACHEBCHEGRIN1GRIN2AKDM4E
SCHEMBL30162655 0.81 ACHE (0.54) ACHEBCHEGRIN1GRIN2AKDM4E
SCHEMBL22020129 0.81 ACHE (0.54) ACHEBCHEGRIN1GRIN2AKDM4E
SCHEMBL21963165 0.79 TNKS (0.35) KDM4EADORA2AMAPK1
SCHEMBL30162064 0.78 ACHE (0.46) ACHEBCHEGRIN1GRIN2AKDM4E
SCHEMBL22021219 0.78 ACHE (0.46) ACHEBCHEGRIN1GRIN2AKDM4E
SCHEMBL21963214 0.70 ACHE (0.52) ACHEBCHEGRIN1GRIN2AKDM4E
SCHEMBL30162391 0.70 ACHE (0.52) ACHEBCHEGRIN1GRIN2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4667054-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2025-12-24 EP disclosed
EP-3880660-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2025-07-02 EP disclosed
CN-113166065-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2025-04-15 CN disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
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
CN-113166065-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-07-23 CN disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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 4177/4885BCHE 4143/4885GRIN1 1296/4885

“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.