SCHEMBL22314481

SCHEMBL22314481

O=c1oc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2n1CCc1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.43
SCN9A Q15858 3/20 0.43
KCNH2 Q12809 2/20 0.43
SCN1A P35498 1/20 0.43
SCN4A P35499 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
TNIK Q9UKE5 1/20 0.40
GRIN1 Q05586 7/20 0.39
GRIN2B Q13224 7/20 0.39
CHRM5 P08912 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
SCHEMBL22314913 0.90 SCN5A (0.48) SCN5ASCN9AKCNH2SCN1ASCN4A
SCHEMBL22314557 0.87 SCN5A (0.46) SCN5ASCN9AKCNH2SCN1ASCN4A
SCHEMBL22314549 0.83 CA12 (0.44) SCN5ASCN9ACA12CA9TNIK
SCHEMBL22314476 0.83 CA12 (0.44) SCN5ASCN9ACA12CA9TNIK
SCHEMBL22314553 0.81 TNIK (0.51) CA12CA9TNIKGRIN1GRIN2B
SCHEMBL25865023 0.81 CA12 (0.42) SCN5ASCN9ACA12CA9TNIK
SCHEMBL22314906 0.79 CA12 (0.46) SCN5ASCN9ASCN10ACA12CA9
SCHEMBL22314494 0.77 RAB9A (0.42) SCN5A
SCHEMBL22314911 0.76 SCN5A (0.52) SCN5ASCN9AKCNH2SCN1ASCN4A
SCHEMBL22314991 0.75 SCN5A (0.42) SCN5ASCN9AKCNH2SCN1ASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US disclosed
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US disclosed
US-20200247793-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-08-06 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 (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-20200247793-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B SCN5A 8/4885SCN9A 42/4885KCNH2 47/4885
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B SCN5A 8/4885SCN9A 42/4885KCNH2 47/4885

“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.