SCHEMBL17418124

SCHEMBL17418124

[O-][n+]1ccc(OCC2CCC(C(F)(F)F)CC2)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.37
PDE4D Q08499 5/20 0.33
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
RIPK1 Q13546 1/20 0.33
SLC6A9 P48067 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
PSEN1 P49768 1/20 0.31
BRD4 O60885 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
SCHEMBL17418122 1.00 SCN9A (0.37) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL15777787 0.89 RIPK1 (0.36) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL17433301 0.85 SCN9A (0.39) SCN9ARIPK1SLC6A9PTGESALOX5
SCHEMBL16094136 0.82 THRA (0.38) SCN9A
SCHEMBL16103346 0.80
SCHEMBL16093791 0.79 PDE4A (0.30) PDE4DPDE4APDE4BPDE4C
SCHEMBL17433246 0.75 SCN9A (0.35) SCN9A
SCHEMBL17418102 0.75 SCN9A (0.35) SCN9A
SCHEMBL17418103 0.75 SCN9A (0.35) SCN9A
SCHEMBL16102685 0.75 SCN9A (0.36) SCN9ARIPK1

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 1460/4885PDE4D 736/4885PDE4A 317/4885

“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.