SCHEMBL5530302

SCHEMBL5530302

Cc1cccc2c(OC3CCN(CC(C)C)CC3)ccnc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
TLR8 Q9NR97 5/20 0.39
TLR7 Q9NYK1 5/20 0.39
TLR9 Q9NR96 4/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
AR P10275 8/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL5529425 0.86 AR (0.41) TLR8TLR7TLR9HTR1AADRA1D
SCHEMBL5532313 0.86 NCF1 (0.42) HRH3ROCK2ROCK1DRD2DRD4
SCHEMBL8236219 0.86 HRH3 (0.41) HRH3ROCK2ROCK1DRD2DRD4
SCHEMBL5532727 0.85 HRH3 (0.42) HRH3TLR8TLR7TLR9HTR1A
SCHEMBL5525555 0.84 HTR1A (0.39) HTR1AADRA1DADRA1AADRA1BAR
SCHEMBL5535920 0.82 OPRL1 (0.43) TLR8TLR7TLR9AR
SCHEMBL5530528 0.81 HRH3 (0.41) HRH3ROCK2ROCK1DRD2DRD4
SCHEMBL5524449 0.81 HRH3 (0.47) HRH3HTR1AADRA1DADRA1AADRA1B
SCHEMBL5529940 0.80 AR (0.40) HTR1AADRA1DADRA1AADRA1BAR
SCHEMBL5528243 0.80 SCN8A (0.48)

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 1454/4885ROCK2 2181/4885ROCK1 2928/4885

“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.