SCHEMBL5530528

SCHEMBL5530528

Cc1cccc2c(OC3CCN(CC(C)C)CC3)cc(F)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
TLR8 Q9NR97 5/20 0.39
TLR7 Q9NYK1 5/20 0.39
TLR9 Q9NR96 4/20 0.39
SCN1A P35498 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP14 Q460N5 2/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADORA2A P29274 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
SCHEMBL5529449 0.88 SOS1 (0.41) HRH3DRD4DRD2TLR8TLR7
SCHEMBL8236222 0.88 HRH3 (0.39) HRH3DRD4DRD2TLR8TLR7
SCHEMBL5529546 0.86 HRH3 (0.42) HRH3TLR8TLR7TLR9SCN1A
SCHEMBL5530548 0.85 SCN1A (0.39) HRH3TLR8TLR7TLR9SCN1A
SCHEMBL5530051 0.83 HRH1 (0.41) HRH3TLR8TLR7TLR9SCN1A
SCHEMBL5530302 0.81 HRH3 (0.43) HRH3DRD4DRD2TLR8TLR7
SCHEMBL5528228 0.81 KCNH2 (0.38) HRH3SCN1ASCN8AHRH1CCR3
SCHEMBL5526609 0.81 SCN8A (0.49) SCN1ASCN8A
SCHEMBL5531991 0.80 SCN8A (0.42) HRH3SCN1ASCN8AHRH1CCR3
SCHEMBL5532960 0.77 SCN8A (0.38) HRH3SCN1ASCN8AHRH1CCR3

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-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
WO-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 WO 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 HRH3 1454/4885DRD4 2279/4885DRD2 1679/4885

“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.