SCHEMBL5529449

SCHEMBL5529449

CC(C)CN1CCC(Oc2cc(F)nc3c(C(F)(F)F)cccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.41
SLC2A1 P11166 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
SCN1A P35498 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
KCNH2 Q12809 1/20 0.39
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
TLR9 Q9NR96 1/20 0.38
RBP4 P02753 1/20 0.38
TTR P02766 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
SCD O00767 1/20 0.37
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL5530528 0.88 HRH3 (0.41) HRH3SCN1ASCN8AKCNH2TLR8
SCHEMBL5532059 0.87 SCN1A (0.39) SOS1SLC2A1HRH3SCN1ASCN8A
SCHEMBL5532983 0.87 GRM2 (0.41) SOS1SLC2A1HRH3SCN1ASCN8A
SCHEMBL5529852 0.86 HRH3 (0.40) SOS1SLC2A1HRH3KCNH2RBP4
SCHEMBL8236222 0.86 HRH3 (0.39) HRH3SCN1ASCN8ATLR8TLR7
SCHEMBL5530042 0.84 KCNH2 (0.40) SOS1SLC2A1HRH3SCN1ASCN8A
SCHEMBL5532313 0.83 NCF1 (0.42) SLC2A1HRH3KCNH2TLR8TLR7
SCHEMBL5527397 0.83 HRH3 (0.52) SOS1SLC2A1HRH3KCNH2RBP4
SCHEMBL5530620 0.83 KCNH2 (0.41) SOS1SLC2A1HRH3KCNH2RBP4
SCHEMBL5523125 0.82 SCN8A (0.46) SCN1ASCN8ARBP4TTR

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 SOS1 4135/4885SLC2A1 2691/4885HRH3 1454/4885

“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.