SCHEMBL5535920

SCHEMBL5535920

Cc1cccc2c(OC3CCN(CC4CCCCC4)CC3)ccnc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.43
OPRK1 P41145 5/20 0.43
OPRM1 P35372 4/20 0.43
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
SCN1A P35498 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
GRIN2B Q13224 1/20 0.39
AR P10275 6/20 0.39
OPRD1 P41143 1/20 0.39
S1PR5 Q9H228 1/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38

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 0.96 AR (0.41) OPRK1TLR9TLR8TLR7AR
SCHEMBL5527453 0.86 NCF1 (0.41) OPRL1OPRK1OPRM1TLR9TLR8
SCHEMBL8235826 0.85 OPRL1 (0.41) OPRL1OPRK1OPRM1TLR9TLR8
SCHEMBL5525555 0.82 HTR1A (0.39) ARHRH1
SCHEMBL5530302 0.82 HRH3 (0.43) TLR9TLR8TLR7AR
SCHEMBL5530051 0.82 HRH1 (0.41) OPRL1OPRK1OPRM1TLR9TLR8
SCHEMBL5529926 0.81 NCF1 (0.44) OPRK1ARHRH1CCR3
SCHEMBL5524449 0.79 HRH3 (0.47) AR
SCHEMBL5529940 0.78 AR (0.40) AR
SCHEMBL5532727 0.78 HRH3 (0.42) TLR9TLR8TLR7AR

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 OPRL1 193/4885OPRK1 290/4885OPRM1 322/4885

“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.