SCHEMBL5524449

SCHEMBL5524449

Cc1cccc2c(OC3CCN(C4CC4)CC3)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.47
KCNH2 Q12809 6/20 0.47
ADRA1A P35348 4/20 0.47
ACVR1 Q04771 1/20 0.41
AR P10275 5/20 0.41
HTR1A P08908 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL5532330 0.84 HRH3 (0.48) HRH3KCNH2ARHTR1A
SCHEMBL5532727 0.84 HRH3 (0.42) HRH3ADRA1AARHTR1AADRA1D
SCHEMBL5529940 0.84 AR (0.40) KCNH2ADRA1AARHTR1AADRA1D
SCHEMBL5529425 0.83 AR (0.41) ADRA1AARHTR1AADRA1DADRA1B
SCHEMBL8237836 0.82 AR (0.40) HRH3KCNH2ADRA1AAR
SCHEMBL5525555 0.81 HTR1A (0.39) KCNH2ADRA1AARHTR1AADRA1D
SCHEMBL5530302 0.81 HRH3 (0.43) HRH3ADRA1AARHTR1AADRA1D
Hydrochloric Acid SCHEMBL23360004 0.80 HTR1A (0.44) ADRA1AARHTR1AADRA1DADRA1B
SCHEMBL5528243 0.79 SCN8A (0.48)
SCHEMBL5535920 0.79 OPRL1 (0.43) AR

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 1454/4885KCNH2 10/4885ADRA1A 989/4885

“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.