SCHEMBL17418003

SCHEMBL17418003

CC1(C)[C@H]2CC[C@H](COc3cc[n+]([O-])cc3Br)[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.41
SCN5A Q14524 1/20 0.41
S1PR1 P21453 1/20 0.40
HDAC6 Q9UBN7 2/20 0.34
ALOX15 P16050 1/20 0.34
CACNA1C Q13936 1/20 0.33
TBXA2R P21731 2/20 0.32
RET P07949 1/20 0.32
MAPK14 Q16539 1/20 0.32
CAMK1D Q8IU85 1/20 0.32
EPHX2 P34913 1/20 0.31
CXCR3 P49682 2/20 0.31

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
SCHEMBL17418002 1.00 SCN9A (0.41) SCN9ASCN5AS1PR1HDAC6ALOX15
SCHEMBL15777787 0.74 RIPK1 (0.36) SCN9A
SCHEMBL17418127 0.71 SCN9A (0.46) SCN9ASCN5AS1PR1HDAC6ALOX15
SCHEMBL16119827 0.71 SCN9A (0.46) SCN9ASCN5AS1PR1HDAC6ALOX15
SCHEMBL16094181 0.71 SCN9A (0.46) SCN9ASCN5AS1PR1HDAC6ALOX15
SCHEMBL16094136 0.71 THRA (0.38) SCN9A
SCHEMBL17418102 0.69 SCN9A (0.35) SCN9ASCN5A
SCHEMBL17418103 0.69 SCN9A (0.35) SCN9ASCN5A
SCHEMBL16093791 0.68 PDE4A (0.30)
SCHEMBL16321818 0.68 LMNA (0.40)

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 425/4885S1PR1 2048/4885

“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.