SCHEMBL17418099

SCHEMBL17418099

Clc1cc(OCC2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C2)c(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.41
SCN5A Q14524 1/20 0.41
CNR2 P34972 2/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CYP2D6 P10635 1/20 0.35
EPHA2 P29317 2/20 0.31
KDR P35968 2/20 0.31
EPHB4 P54760 2/20 0.31
ERBB2 P04626 1/20 0.30
FLT1 P17948 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
SCHEMBL16119904 1.00 SCN9A (0.41) SCN9ASCN5ACNR2CHRNB2CHRNA4
SCHEMBL17418101 1.00 SCN9A (0.41) SCN9ASCN5ACNR2CHRNB2CHRNA4
SCHEMBL16099644 0.81 THRA (0.45) SCN9ACNR2
SCHEMBL17433251 0.79 SCN9A (0.45) SCN9ACNR2
SCHEMBL17418119 0.76 SCN9A (0.42) SCN9ACNR2
SCHEMBL16119902 0.76 SCN9A (0.42) SCN9ACNR2
SCHEMBL16094355 0.75 CNR2 (0.36) SCN9ACNR2
SCHEMBL16093924 0.74 CNR2 (0.38) SCN9ACNR2
SCHEMBL17433245 0.72 SCN9A (0.42) SCN9ASCN5A
SCHEMBL17418046 0.71 SCN9A (0.43) SCN9ASCN5A

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 1460/4885SCN5A 425/4885CNR2 930/4885

“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.