SCHEMBL29797909

SCHEMBL29797909

CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(Cc3c(F)cccc3F)n2C)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
VNN1 O95497 7/20 0.41
PARP1 P09874 1/20 0.40
ELANE P08246 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NTRK1 P04629 1/20 0.36
ADRA1A P35348 1/20 0.35
CCR5 P51681 1/20 0.35
MCHR1 Q99705 1/20 0.35
SETD2 Q9BYW2 1/20 0.35
RORC P51449 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
SCHEMBL29797818 0.83 PDK2 (0.47) PDK2VNN1PARP1ELANENTRK1
SCHEMBL31369352 0.77 LMNA (0.50) ALDH1A1
SCHEMBL29797687 0.75 PDK2 (0.46) PDK2VNN1PARP1ADRA1AMCHR1
SCHEMBL29798021 0.73 PDK2 (0.47) PDK2VNN1PARP1ELANENTRK1
SCHEMBL26616264 0.67 VNN1 (0.53) PDK2VNN1
SCHEMBL26615294 0.67 VNN1 (0.53) PDK2VNN1
SCHEMBL22031923 0.66 VNN1 (0.68) PDK2VNN1
SCHEMBL21989905 0.66 VNN1 (0.68) PDK2VNN1
SCHEMBL22031934 0.66 VNN1 (0.56) PDK2VNN1PARP1
SCHEMBL29658661 0.66 VNN1 (0.68) PDK2VNN1

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-20250042850-A1 PHARMACEUTICAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME ATHOS THERAPEUTICS INC (US) 2025-02-06 US disclosed
WO-2022159980-A1 PHARMACEUTICAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME ATHOS THERAPEUTICS, INC. (US) 2022-07-28 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-20250042850-A1 PHARMACEUTICAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PTGES, PTGIS, HPGDS PDK2 237/4885VNN1 1583/4885PARP1 435/4885

“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.