SCHEMBL21835657

SCHEMBL21835657

COCc1cc(OC(F)(F)F)ccc1-c1cn2c(COC)nnc2cn1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.83
SCN5A Q14524 3/20 0.41
DYRK1A Q13627 1/20 0.38
RXRA P19793 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
CBFB Q13951 1/20 0.34
ALKBH1 Q13686 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
SCHEMBL20203838 0.91 CYP1A2 (1.00) CYP1A2SCN5ADYRK1ARXRAGRIN1
SCHEMBL26539129 0.90 CYP1A2 (0.87) CYP1A2SCN5ADYRK1ARXRAGRIN1
SCHEMBL31733960 0.90 CYP1A2 (0.87) CYP1A2SCN5ADYRK1ARXRAGRIN1
SCHEMBL24156014 0.90 CYP1A2 (0.74) CYP1A2SCN5ADYRK1ARXRAGRIN1
SCHEMBL21835764 0.89 CYP1A2 (0.85) CYP1A2SCN5ADYRK1ARXRAGRIN1
SCHEMBL24155936 0.89 CYP1A2 (0.85) CYP1A2SCN5ADYRK1ARXRAGRIN1
SCHEMBL20203876 0.87 CYP1A2 (0.75) CYP1A2SCN5ADYRK1ARXRAGRIN1
SCHEMBL24156001 0.86 CYP1A2 (0.81) CYP1A2SCN5ADYRK1ARXRAGRIN1
SCHEMBL26539324 0.86 CYP1A2 (0.74) CYP1A2SCN5ADYRK1ARXRAGRIN1
SCHEMBL20188664 0.83 CYP1A2 (0.73) CYP1A2SCN5ADYRK1ARXRAGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479844-B2 Ion channel modulators PRAXIS PRECISION MEDICINES, INC. (US) 2025-11-25 US disclosed
US-20210403476-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2021-12-30 US disclosed
US-20210403476-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2021-12-30 US disclosed
EP-3856193-A1 ION CHANNEL MODULATORS Praxis Precision Medicines, Inc. (US) 2021-08-04 EP disclosed
WO-2020069322-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. (US) 2020-04-02 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 (2 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-20210403476-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A CYP1A2 2873/4885SCN5A 5/4885DYRK1A 3961/4885
US-12479844-B2 Ion channel modulators SCN1A, SCN3A, SCN2A CYP1A2 2873/4885SCN5A 5/4885DYRK1A 3961/4885

“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.