SCHEMBL5525555

SCHEMBL5525555

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
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 13/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL5527506 0.87 NCF1 (0.43) ARPOLB
SCHEMBL5529425 0.86 AR (0.41) HTR1AADRA1DADRA1AADRA1BAR
SCHEMBL8238856 0.86 AR (0.38) ARPOLBL3MBTL1
SCHEMBL5529940 0.85 AR (0.40) HTR1AADRA1DADRA1AADRA1BAR
SCHEMBL5530302 0.84 HRH3 (0.43) HTR1AADRA1DADRA1AADRA1BAR
SCHEMBL5535920 0.82 OPRL1 (0.43) ARHRH1
SCHEMBL5530548 0.81 SCN1A (0.39) ADRA1APOLBL3MBTL1HRH1KCNH2
SCHEMBL5524449 0.81 HRH3 (0.47) HTR1AADRA1DADRA1AADRA1BAR
SCHEMBL5532727 0.80 HRH3 (0.42) HTR1AADRA1DADRA1AADRA1BAR
SCHEMBL23359883 0.78 GPR119 (0.49)

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 HTR1A 721/4885ADRA1D 1377/4885ADRA1A 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.