SCHEMBL5529546

SCHEMBL5529546

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.42
EHMT2 Q96KQ7 1/20 0.39
SLC5A7 Q9GZV3 4/20 0.38
CYP1A2 P05177 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN1A P35498 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
SOS1 Q07889 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
SCHEMBL5526609 0.88 SCN8A (0.49) SCN1ASCN8A
SCHEMBL5531991 0.87 SCN8A (0.42) HRH3ADRA1AKCNH2SCN1ASCN8A
SCHEMBL5529852 0.87 HRH3 (0.40) HRH3EHMT2KCNH2SOS1
SCHEMBL8238217 0.86 HRH3 (0.38) HRH3EHMT2SLC5A7CYP1A2
SCHEMBL5530528 0.86 HRH3 (0.41) HRH3ADRA1AKCNH2SCN1ASCN8A
SCHEMBL5528228 0.84 KCNH2 (0.38) HRH3ADRA1AKCNH2SCN1ASCN8A
SCHEMBL5532960 0.84 SCN8A (0.38) HRH3ADRA1AKCNH2SCN1ASCN8A
SCHEMBL8096373 0.82 HRH3 (0.41) HRH3SLC5A7CYP1A2ADRA1AKCNH2
SCHEMBL5530548 0.81 SCN1A (0.39) HRH3ADRA1AKCNH2SCN1ASCN8A
SCHEMBL5532727 0.80 HRH3 (0.42) HRH3SLC5A7ADRA1ATLR9TLR8

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 1454/4885EHMT2 1882/4885SLC5A7 1579/4885

“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.