SCHEMBL21963403

SCHEMBL21963403

Nc1cc(-c2ccccc2)nc2c1CCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.53
PDE4B Q07343 1/20 0.51
BCHE P06276 7/20 0.49
CHRM1 P11229 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
ADORA2A P29274 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADORA1 P30542 2/20 0.47
HSD17B10 Q99714 4/20 0.45

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
SCHEMBL30162274 1.00 ACHE (0.53) ACHEPDE4BBCHECHRM1GRIN1
SCHEMBL16668887 0.83 PDE4B (0.56) ACHEPDE4BBCHEGRIN1GRIN2A
SCHEMBL16669014 0.80 ALDH1A1 (0.47) ACHEPDE4BBCHECHRM1GRIN1
SCHEMBL2624107 0.77 ALDH1A1 (0.47) ACHEPDE4BBCHECHRM1GRIN1
SCHEMBL24978534 0.73 KDM4E (0.45) ACHEBCHEKDM4EALDH1A1ADORA2A
SCHEMBL22021459 0.73 ACHE (0.42) ACHEPDE4BBCHEKDM4EALDH1A1
SCHEMBL14529192 0.72 ACHE (0.49) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL28457131 0.72 ADORA2A (0.47) ACHEPDE4BBCHEGRIN1GRIN2A
SCHEMBL28458920 0.72 AGTR1 (0.47) ACHEBCHEGRIN1GRIN2AKDM4E
SCHEMBL28151329 0.72 MAPT (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 7 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
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
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 4177/4885PDE4B 589/4885BCHE 4143/4885

“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.