SCHEMBL24978308

SCHEMBL24978308

CC1(C)CCc2c1nc1c(c2NC=O)CCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
ACHE P22303 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL22020117 0.80 GAA (0.46) CYP1A2GAANPSR1USP2KDM4E
SCHEMBL21963218 0.80 GAA (0.46) CYP1A2GAANPSR1USP2KDM4E
SCHEMBL22019956 0.79 CYP1A2 (0.47) CYP1A2GAANPSR1USP2KDM4E
SCHEMBL22019866 0.79 GAA (0.44) CYP1A2GAANPSR1USP2KDM4E
SCHEMBL22019717 0.77 KDM4E (0.36) KDM4EACHEMEN1KMT2A
SCHEMBL31651305 0.73 CYP1A2 (0.39) CYP1A2GAANPSR1USP2KDM4E
SCHEMBL22019942 0.72 ACHE (0.55) CYP1A2KDM4EACHEMEN1TSHR
SCHEMBL30120892 0.72 ACHE (0.55) CYP1A2KDM4EACHEMEN1TSHR
SCHEMBL22020361 0.71 USP2 (0.40) CYP1A2GAANPSR1USP2KDM4E
SCHEMBL24478599 0.71 GAA (0.34) CYP1A2GAAKDM4EMAPTACHE

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 1 patent. 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

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 CYP1A2 1790/4885GAA 1444/4885NPSR1 1195/4885

“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.