SCHEMBL22314552

SCHEMBL22314552

O=C1OCCN1CCCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.43
SCN4A P35499 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 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
TMEM97 Q5BJF2 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL25868838 0.93 TMEM97 (0.39) SCN1ASCN4AKCNH2SCN5ASCN9A
SCHEMBL22314551 0.85 TMEM97 (0.42) TMEM97TP53MAPTSMN1; SMN2THRB
SCHEMBL22314500 0.81 TP53 (0.44) TP53MAPTSMN1; SMN2THRBTDP1
SCHEMBL25865015 0.81 TP53 (0.47) SCN9ATP53MAPTSMN1; SMN2THRB
SCHEMBL22314498 0.80 MAPT (0.53) TP53MAPTSMN1; SMN2THRBTDP1
SCHEMBL25865022 0.79 ALDH1A1 (0.46) TP53MAPTSMN1; SMN2THRBTDP1
SCHEMBL22314474 0.79 KMO (0.46) TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL22314478 0.79 ALDH1A1 (0.41) TP53MAPTSMN1; SMN2THRBTDP1
SCHEMBL22314464 0.77 ALDH1A1 (0.50) TP53MAPTSMN1; SMN2THRBTDP1
SCHEMBL22314496 0.77 TSPO (0.43) SCN5AALDH1A1

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 SCN1A 1/4885SCN4A 29/4885KCNH2 47/4885
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B SCN1A 1/4885SCN4A 29/4885KCNH2 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.