SCHEMBL17433265

SCHEMBL17433265

c1c(OCC2CCCCC2)c(C2CC2)cn2cnnc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.53
CNR2 P34972 4/20 0.40
SCN5A Q14524 2/20 0.40

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
SCHEMBL16100406 0.88 SCN9A (0.54) SCN9ACNR2
SCHEMBL17433266 0.85 SCN9A (0.42) SCN9ASCN5A
SCHEMBL17433263 0.84 SCN9A (0.53) SCN9ACNR2
SCHEMBL17418029 0.83 SCN9A (0.56) SCN9A
SCHEMBL16119849 0.83 SCN9A (0.41) SCN9ACNR2
SCHEMBL17418084 0.83 SCN9A (0.41) SCN9ACNR2
SCHEMBL17418031 0.83 SCN9A (0.56) SCN9A
SCHEMBL17418082 0.83 SCN9A (0.41) SCN9ACNR2
SCHEMBL16119807 0.83 SCN9A (0.56) SCN9A
SCHEMBL16099663 0.80 SCN9A (0.45) SCN9ACNR2

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 1460/4885CNR2 930/4885SCN5A 425/4885

“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.