SCHEMBL22015026

SCHEMBL22015026

Cc1c2c(cc(C3CC3)c1CC(=O)OC(C)(C)C)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.36
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
EED O75530 1/20 0.32
RBBP4 Q09028 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
AEBP2 Q6ZN18 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL21962062 0.82 KDM4E (0.38) NLRP3KDM4EPOLBMAPT
SCHEMBL19475186 0.79 NLRP3 (0.47) NLRP3HPGDHSD17B10KDM4EALDH1A1
SCHEMBL25067020 0.77 NLRP3 (0.45) NLRP3HPGDHSD17B10KDM4EALDH1A1
SCHEMBL26835893 0.73 ALDH1A1 (0.42) NLRP3HPGDHSD17B10KDM4EALDH1A1
SCHEMBL21962919 0.71 NLRP3 (0.42) NLRP3HPGDHSD17B10KDM4EALDH1A1
SCHEMBL25842400 0.71 NLRP3 (0.33) NLRP3ALDH1A1LMNAMAPT
SCHEMBL22775756 0.70 MTNR1A (0.38) NLRP3HPGDHSD17B10KDM4EALDH1A1
SCHEMBL22802398 0.69 KDM4E (0.39) NLRP3HPGDHSD17B10KDM4EALDH1A1
SCHEMBL25067262 0.69 MEN1 (0.37) NLRP3KDM4EALDH1A1MEN1KMT2A
SCHEMBL20681158 0.68 MTNR1A (0.36) TSHRMTNR1AMTNR1BALOX5APFEN1

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
WO-2020102574-A1 THE 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885HPGD 1793/4885HSD17B10 1210/4885

“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.