SCHEMBL20189454

SCHEMBL20189454

COc1cc(OC(F)(F)F)ccc1-c1ccn2nccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.65
GRM7 Q14831 2/20 0.44
CTSA P10619 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP4B1 P13584 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP3A5 P20815 1/20 0.43
CYP2A7 P20853 1/20 0.43
CYP3A7 P24462 1/20 0.43
CYP2F1 P24903 1/20 0.43
CYP2C18 P33260 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2J2 P51589 1/20 0.43

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
SCHEMBL20208588 0.79 SCN5A (1.00) SCN5AALDH1A1PIK3CD
SCHEMBL20190244 0.78 SCN5A (0.49) SCN5AGRM7CTSACYP1A1CYP1A2
SCHEMBL20190635 0.78 SCN5A (0.67) SCN5AGRM7CTSACYP1A1CYP1A2
SCHEMBL20190634 0.78 SCN5A (0.62) SCN5AGRM7CRHR1
SCHEMBL22066458 0.77 SCN5A (0.41) SCN5AGRM7CTSACYP1A1CYP1A2
SCHEMBL26361527 0.72 SCN5A (0.50) SCN5ACYP1A2PIM1PIM2
SCHEMBL20190446 0.71 SCN5A (0.51) SCN5ACYP1A2
SCHEMBL19857043 0.70 CTSA (0.51) CTSACYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL20191052 0.68 SCN5A (0.50) SCN5AMEN1ALDH1A1KMT2ACRHR1
SCHEMBL20190080 0.68 SCN5A (0.65) SCN5AMEN1ALDH1A1KMT2ACRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO disclosed
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 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 (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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B SCN5A 8/4885GRM7 359/4885CTSA 2616/4885

“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.