SCHEMBL22019942

SCHEMBL22019942

CC1(C)CCc2c1nc1c(c2N)CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
BPTF Q12830 1/20 0.55
BCHE P06276 10/20 0.42
GRIN1 Q05586 11/20 0.42
GRIN2A Q12879 11/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
ABCC4 O15439 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL30120892 1.00 ACHE (0.55) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL22019717 0.81 KDM4E (0.36) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL22020021 0.81 ACHE (0.57) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL30120743 0.81 ACHE (0.57) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL24478599 0.78 GAA (0.34) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL24977975 0.77 EEF2K (0.34) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL22019716 0.77 USP2 (0.33) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL22020824 0.76 ACHE (0.55) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963101 0.75 ACHE (0.48) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL20681035 0.74 ACHE (0.95) ACHEMEN1MAPK1KMT2ABPTF

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018166-A1 SULFONYL UREA NLRP3 INFLAMMASOME INHIBITORS VenatoRx Pharmaceuticals, Inc. 2024-01-18 US disclosed
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-12 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 (4 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 4177/4885MEN1 3390/4885MAPK1 1647/4885
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ACHE 4292/4885MEN1 3418/4885MAPK1 1499/4885
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ACHE 4292/4885MEN1 3418/4885MAPK1 1499/4885
US-20240018166-A1 SULFONYL UREA NLRP3 INFLAMMASOME INHIBITORS NLRP3, PYCARD, NOD1 ACHE 4523/4885MEN1 4639/4885MAPK1 1874/4885

“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.