SCHEMBL17815786

SCHEMBL17815786

COc1nc(C)ccc1OCC1CCC(F)(F)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.39
SCN9A Q15858 5/20 0.35
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
RIPK1 Q13546 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
RORC P51449 3/20 0.32
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
TRPC6 Q9Y210 1/20 0.32

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
SCHEMBL17815743 0.89 IDH1 (0.36) LRRK2CHRNB4CHRNA3FFAR4APP
SCHEMBL17799055 0.87 LRRK2 (0.36) LRRK2SCN9ACHRNB4CHRNA3RIPK1
SCHEMBL17815782 0.82 IDH1 (0.34) LRRK2CHRNB4CHRNA3FFAR4APP
SCHEMBL17815781 0.81 NPC1 (0.34)
SCHEMBL17815699 0.79 MCHR1 (0.43) CHRNB4CHRNA3
SCHEMBL17815736 0.79 SCN9A (0.33) SCN9ACHRNB4CHRNA3FFAR4
SCHEMBL20820238 0.79 LRRK2 (0.41) LRRK2SCN9ACHRNB4CHRNA3RIPK1
SCHEMBL17815779 0.78 ACHE (0.44) SCN9A
SCHEMBL17815700 0.76 CHRNB4 (0.35) CHRNB4CHRNA3FFAR4
SCHEMBL17815721 0.76 CHRNB4 (0.32) CHRNB4CHRNA3RORC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 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-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 LRRK2 1933/4885SCN9A 97/4885CHRNB4 321/4885

“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.