SCHEMBL22280260

SCHEMBL22280260

Cc1c2c(cc3c1CCC3=O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
CYP2A6 P11509 1/20 0.37
PRKCI P41743 1/20 0.37
CDC25B P30305 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
NLRP3 Q96P20 1/20 0.33
HSD17B1 P14061 1/20 0.33
TYMS P04818 1/20 0.33
HTT P42858 1/20 0.33
PLK1 P53350 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
CES1 P23141 1/20 0.32
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL18393609 0.78 MAPK1 (0.41) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL22011681 0.78 MEN1 (0.41) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL18007624 0.78 MEN1 (0.41) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL21892964 0.78 MAPT (0.41) MEN1KMT2ANLRP3ALDH1A1
SCHEMBL24294871 0.77 MEN1 (0.38) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL21892897 0.77 MEN1 (0.38) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL21892896 0.77 MAPK1 (0.38) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL22282131 0.77 NLRP3 (0.40) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL21586529 0.77 MAPT (0.43) MEN1KMT2ANLRP3ALDH1A1
SCHEMBL13930558 0.76 ALDH1A1 (0.35) TYMSKDM4EALDH1A1HPGDPBRM1

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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MEN1 3277/4885KMT2A 4465/4885MAPK1 1462/4885

“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.