SCHEMBL21963404

SCHEMBL21963404

Cc1c(C(C)C)nc2c(c1NC(=O)O)CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 3/20 0.47
CYP1A2 P05177 1/20 0.47
USP2 O75604 1/20 0.47
KDM4E B2RXH2 6/20 0.44
MAPT P10636 2/20 0.44
ACHE P22303 2/20 0.40
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34

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
SCHEMBL22020629 0.89 NPSR1 (0.51) NPSR1MEN1TSHRKMT2AGAA
SCHEMBL24978198 0.85 NPSR1 (0.48) NPSR1MEN1TSHRKMT2AGAA
SCHEMBL20681381 0.81 GAA (0.61) NPSR1MEN1TSHRKMT2AGAA
SCHEMBL22021236 0.79 NPSR1 (0.42) NPSR1MEN1TSHRKMT2AGAA
SCHEMBL22019709 0.76 KDM4E (0.39) NPSR1MEN1TSHRKMT2AGAA
SCHEMBL21963232 0.75 USP2 (0.49) NPSR1MEN1TSHRKMT2AGAA
SCHEMBL28641253 0.71 NPSR1 (0.38) NPSR1MEN1TSHRKMT2AGAA
SCHEMBL22020790 0.71 ACHE (0.52) MEN1KMT2AGAAKDM4EACHE
SCHEMBL21963350 0.70 GAA (0.45) NPSR1MEN1TSHRKMT2AGAA
SCHEMBL21963218 0.70 GAA (0.46) NPSR1MEN1TSHRKMT2AGAA

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 3 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
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

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 NPSR1 1195/4885MEN1 3390/4885TSHR 4271/4885

“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.