SCHEMBL5532313

SCHEMBL5532313

CC(C)CN1CCC(Oc2ccnc3c(C(F)(F)F)cccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.42
SCD O00767 5/20 0.41
AR P10275 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SLC2A1 P11166 1/20 0.41
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
TLR9 Q9NR96 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL5529926 0.87 NCF1 (0.44) NCF1SCDARSLC2A1
SCHEMBL5527506 0.86 NCF1 (0.43) NCF1SCDARSLC2A1
SCHEMBL5530302 0.86 HRH3 (0.43) ARHRH3TLR8TLR7TLR9
SCHEMBL5528104 0.86 HRH3 (0.45) NCF1SCDARHRH3SLC2A1
SCHEMBL8236219 0.85 HRH3 (0.41) ARHRH3TLR8TLR7TLR9
SCHEMBL5527453 0.83 NCF1 (0.41) NCF1SCDARSLC2A1TLR8
SCHEMBL5529449 0.83 SOS1 (0.41) SCDHRH3SLC2A1TLR8TLR7
SCHEMBL5532330 0.82 HRH3 (0.48) NCF1SCDARHRH3SLC2A1
SCHEMBL5521993 0.82 NCF1 (0.46) NCF1SCDARHRH3SLC2A1
SCHEMBL5521962 0.81 SCN8A (0.43) NCF1SCDAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 NCF1 2805/4885SCD 1710/4885AR 4698/4885

“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.