SCHEMBL17815728

SCHEMBL17815728

Cc1ccc(OCC2CC2(F)F)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
AR P10275 4/20 0.38
SCN8A Q9UQD0 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
HPGD P15428 1/20 0.37
SCN9A Q15858 1/20 0.35
S1PR4 O95977 1/20 0.34
RBP4 P02753 2/20 0.34
TTR P02766 2/20 0.34
BRD4 O60885 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MKNK2 Q9HBH9 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CTSS P25774 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL17815725 0.84 SYK (0.46) SYKARHPGDSCN9AS1PR4
SCHEMBL20820258 0.83 RXRA (0.39) SCN8ASCN10AHPGDSCN9AS1PR4
SCHEMBL20820450 0.82 FFAR4 (0.37) SCN8ASCN10AHPGDFFAR4
SCHEMBL17815746 0.82 SMN1; SMN2 (0.43) HPGDS1PR4
SCHEMBL879009 0.78 HTR1A (0.37) SCN8ASCN10ABRD4MKNK2
SCHEMBL8280909 0.75 AR (0.53) SYKARHPGDPDE3BPDE3A
SCHEMBL16104795 0.75 SYK (0.49) SYKARMKNK2CTSSRXRA
SCHEMBL12180343 0.73 TSHR (0.54) SYKSCN10ASCN9A
SCHEMBL17815717 0.72 SYK (0.47) SYKARMKNK2RXRARXRB
SCHEMBL12180335 0.72 PDE3B (0.49) SYKARHPGDS1PR4PDE3B

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 SYK 4141/4885AR 3352/4885SCN8A 87/4885

“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.