SCHEMBL17433301

SCHEMBL17433301

O[n+]1ccc(OC[C@H]2CC[C@H](C(F)(F)F)CC2)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.39
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
PSEN1 P49768 1/20 0.34
RIPK1 Q13546 1/20 0.33
SLC6A9 P48067 1/20 0.32
BRD4 O60885 1/20 0.30
SCN8A Q9UQD0 2/20 0.30
SCN10A Q9Y5Y9 2/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL17418124 0.85 SCN9A (0.37) SCN9APTGESALOX5PPARGPSEN1
SCHEMBL17418122 0.85 SCN9A (0.37) SCN9APTGESALOX5PPARGPSEN1
SCHEMBL17433284 0.82 THRA (0.44) SCN9A
SCHEMBL16119903 0.75 SCN9A (0.38) SCN9A
SCHEMBL16102686 0.75 SCN9A (0.36) SCN9ARIPK1
SCHEMBL16102685 0.75 SCN9A (0.36) SCN9ARIPK1
SCHEMBL15777787 0.72 RIPK1 (0.36) SCN9ARIPK1BRD4
SCHEMBL19225529 0.70 RIPK1 (0.37) SCN9ARIPK1
SCHEMBL1438650 0.69 SCN8A (0.43) RIPK1SLC6A9SCN8ASCN10A
SCHEMBL17418119 0.68 SCN9A (0.42) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 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 (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-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 SCN9A 1460/4885PTGES 1108/4885ALOX5 4017/4885

“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.