SCHEMBL26308565

SCHEMBL26308565

C[C@H](Oc1ncc(-c2ccc3nnc(C(C)(F)F)n3n2)cc1F)C(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.43
SCN5A Q14524 1/20 0.39
MET P08581 15/20 0.39
CYP3A4 P08684 1/20 0.36
PDE1A P54750 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE11A Q9HCR9 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL26308566 1.00 CYP1A2 (0.43) CYP1A2SCN5AMETCYP3A4PDE1A
SCHEMBL22745008 0.93 CYP1A2 (0.51) CYP1A2SCN5AMET
SCHEMBL22744830 0.93 CYP1A2 (0.51) CYP1A2SCN5AMET
SCHEMBL22745009 0.93 CYP1A2 (0.51) CYP1A2SCN5AMET
SCHEMBL26539659 0.89 CYP1A2 (0.43) CYP1A2SCN5AMETPDE1APDE4C
SCHEMBL26539658 0.89 CYP1A2 (0.43) CYP1A2SCN5AMETPDE1APDE4C
SCHEMBL26539661 0.89 CYP1A2 (0.43) CYP1A2SCN5AMETPDE1APDE4C
SCHEMBL26308517 0.82 CYP1A2 (0.45) CYP1A2SCN5AMET
SCHEMBL26539275 0.82 CYP1A2 (0.58) CYP1A2SCN5AMETCYP3A4
SCHEMBL23522697 0.82 CYP1A2 (0.52) CYP1A2SCN5AMETPDE1APDE4C

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-20230286984-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2023-09-14 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-20230286984-A1 ION CHANNEL MODULATORS SCN1A, SCN1B, SCN2A CYP1A2 2437/4885SCN5A 5/4885MET 4804/4885

“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.