SCHEMBL24323575

SCHEMBL24323575

CN(CC(C)(C)C)c1cccc(C=O)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 4/20 0.39
NUDT1 P36639 1/20 0.33
CCR1 P32246 1/20 0.32
TERT O14746 6/20 0.31
PDE10A Q9Y233 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12377305 0.82 NUDT1 (0.40) NUDT1
SCHEMBL24323574 0.78 HTR7 (0.41) NUDT1
SCHEMBL29427789 0.77 PDE10A (0.47) FGFR4TERTPDE10AALDH1A1
SCHEMBL1942910 0.77 FGFR4 (0.45) FGFR4CCR1TERTPDE10AALDH1A1
SCHEMBL14138082 0.75 FGFR4 (0.38) FGFR4TERTPDE10AALDH1A1
SCHEMBL25256068 0.73 ALDH1A1 (0.41) FGFR4CCR1TERTALDH1A1
SCHEMBL31150333 0.73 ALDH1A1 (0.41) FGFR4CCR1TERTALDH1A1
SCHEMBL1860331 0.70 FGFR4 (0.41) FGFR4TERT
SCHEMBL28462362 0.70 FGFR4 (0.46) FGFR4TERT
SCHEMBL23964497 0.69 CCR1 (0.36) CCR1TERTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
WO-2022076620-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B FGFR4 1873/4885NUDT1 2873/4885CCR1 3072/4885

“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.