SCHEMBL17418072

SCHEMBL17418072

CC1(C)[C@H]2CC[C@H](COc3cc4nncn4cc3Br)[C@@H]1C2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.49
SCN5A Q14524 1/20 0.38
S1PR1 P21453 1/20 0.38
CACNA1C Q13936 1/20 0.33
CNR1 P21554 1/20 0.31
HDAC6 Q9UBN7 2/20 0.30
ALOX15 P16050 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
SCHEMBL17418112 1.00 SCN9A (0.49) SCN9ASCN5AS1PR1CACNA1CCNR1
SCHEMBL16119809 0.86 SCN9A (0.61) SCN9ASCN5AS1PR1
SCHEMBL18400117 0.83 SCN9A (0.36) SCN9A
SCHEMBL18400118 0.82 SCN9A (0.35) SCN9A
SCHEMBL17418081 0.81 SCN9A (0.54) SCN9ASCN5AS1PR1CACNA1CCNR1
SCHEMBL16119833 0.81 SCN9A (0.54) SCN9ASCN5AS1PR1CACNA1CCNR1
SCHEMBL17433300 0.80 SCN9A (0.35) SCN9A
SCHEMBL16119827 0.75 SCN9A (0.46) SCN9ASCN5AS1PR1CACNA1CCNR1
SCHEMBL17418127 0.75 SCN9A (0.46) SCN9ASCN5AS1PR1CACNA1CCNR1
SCHEMBL16094181 0.75 SCN9A (0.46) SCN9ASCN5AS1PR1CACNA1CCNR1

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 4 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-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
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.