SCHEMBL22019728

SCHEMBL22019728

CC(C)c1c2c(cc3cccn13)CCC2

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NLRP3 Q96P20 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
SCHEMBL13169643 0.80 MAPT (0.33) ATMSMN1; SMN2KDM4EMAPTHTT
SCHEMBL13169646 0.77 HRH3 (0.32) ATMSMN1; SMN2KDM4EMAPTHTT
SCHEMBL24978114 0.76 HRH3 (0.36) ATMMAPTHTT
SCHEMBL13169644 0.67 MAPT (0.33) KDM4EGAAMAPTNLRP3
SCHEMBL21962199 0.63 ATM (0.38) ATMSMN1; SMN2KDM4ELMNAGAA
SCHEMBL73966 0.63 TSHR (0.39) SMN1; SMN2KDM4EMAPT
SCHEMBL13169652 0.63 PTPN1 (0.32) KDM4EGAA
SCHEMBL25024717 0.63 MAPT (0.55) ATMSMN1; SMN2KDM4ELMNAGAA
SCHEMBL22002673 0.63 NLRP3 (0.41) ATMSMN1; SMN2KDM4ELMNAGAA
SCHEMBL7278399 0.62 MAOA (0.42) SMN1; SMN2LMNAMAPTHTT

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 2 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
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 ATM 3677/4885SMN1; SMN2 2608/4885KDM4E 4525/4885

“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.