SCHEMBL5528228

SCHEMBL5528228

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
ADRA1A P35348 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPK14 Q16539 4/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH1 P35367 2/20 0.35
CCR3 P51677 2/20 0.35
TACR3 P29371 1/20 0.35
SCN1A P35498 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
PDE10A Q9Y233 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
OXTR P30559 1/20 0.34

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
SCHEMBL5530620 0.88 KCNH2 (0.41) KCNH2HRH3KDM4EMAPTPDE10A
SCHEMBL8231334 0.86 MAPK14 (0.35) KCNH2MAPK14HRH1CCR3TACR3
SCHEMBL5530548 0.86 SCN1A (0.39) KCNH2ADRA1AHRH3KDM4EGAA
SCHEMBL5529546 0.84 HRH3 (0.42) KCNH2ADRA1AHRH3SCN1ASCN8A
SCHEMBL5530528 0.81 HRH3 (0.41) KCNH2ADRA1AHRH3HRH1CCR3
SCHEMBL5531991 0.81 SCN8A (0.42) KCNH2ADRA1AHRH3KDM4EGAA
SCHEMBL5529940 0.80 AR (0.40) KCNH2ADRA1ATACR3
SCHEMBL5526609 0.80 SCN8A (0.49) SCN1ASCN8A
SCHEMBL5530051 0.80 HRH1 (0.41) KCNH2ADRA1AHRH3KDM4EGAA
SCHEMBL5532960 0.79 SCN8A (0.38) KCNH2ADRA1AHRH3HRH1CCR3

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 KCNH2 10/4885ADRA1A 989/4885HRH3 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.