SCHEMBL22314905

SCHEMBL22314905

C[C@@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.40
TRPV3 Q8NET8 1/20 0.40
GRIN2B Q13224 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
BRD4 O60885 1/20 0.37
ADORA3 P0DMS8 1/20 0.35
SCN9A Q15858 2/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
NOTUM Q6P988 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL22315052 1.00 SCN5A (0.40) SCN5ATRPV3GRIN2BFFAR4BRD4
SCHEMBL22314910 1.00 SCN5A (0.40) SCN5ATRPV3GRIN2BFFAR4BRD4
SCHEMBL25865091 0.87 SCN5A (0.43) SCN5ATRPV3GRIN2BBRD4SCN9A
SCHEMBL20472119 0.86 SCN5A (0.40) SCN5ATRPV3GRIN2BFFAR4ADORA3
SCHEMBL25865235 0.85 SCN5A (0.42) SCN5AGRIN2BBRD4SCN9ANOTUM
SCHEMBL22314953 0.85 SCN5A (0.39) SCN5ATRPV3GRIN2BNOTUMHDAC3
SCHEMBL25865073 0.85 SCN5A (0.42) SCN5ATRPV3GRIN2BFFAR4ADORA3
SCHEMBL22288076 0.85 KMO (0.47) SCN5AGRIN2BFFAR4SUCNR1HDAC3
SCHEMBL22314514 0.85 SCN5A (0.45) SCN5ATRPV3GRIN2BADORA3NOTUM
SCHEMBL20471904 0.84 SCN5A (0.42) SCN5ATRPV3GRIN2BFFAR4ADORA3

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 8/4885TRPV3 125/4885GRIN2B 120/4885
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B SCN5A 8/4885TRPV3 125/4885GRIN2B 120/4885

“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.