SCHEMBL5529425

SCHEMBL5529425

Cc1cccc2c(OC3CCN(CC4CC4)CC3)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.41
OPRK1 P41145 1/20 0.41
HRH1 P35367 2/20 0.40
CCR3 P51677 2/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 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
SCHEMBL5535920 0.96 OPRL1 (0.43) AROPRK1HRH1CCR3TLR9
SCHEMBL5530302 0.86 HRH3 (0.43) ARHTR1AADRA1DADRA1AADRA1B
SCHEMBL5525555 0.86 HTR1A (0.39) ARHRH1HTR1AADRA1DADRA1A
SCHEMBL5529926 0.85 NCF1 (0.44) AROPRK1HRH1CCR3
SCHEMBL5524449 0.83 HRH3 (0.47) ARHTR1AADRA1DADRA1AADRA1B
SCHEMBL5529940 0.82 AR (0.40) ARHTR1AADRA1DADRA1AADRA1B
SCHEMBL5532727 0.82 HRH3 (0.42) ARHTR1AADRA1DADRA1AADRA1B
SCHEMBL5527453 0.82 NCF1 (0.41) AROPRK1TLR9TLR8TLR7
SCHEMBL8235826 0.80 OPRL1 (0.41) AROPRK1TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL23360004 0.78 HTR1A (0.44) ARHRH1HTR1AADRA1DADRA1A

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 AR 4698/4885OPRK1 290/4885HRH1 1769/4885

“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.