SCHEMBL5537609

SCHEMBL5537609

Cc1cc(OC2CCN(C(C)c3ccccc3)C2)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
SCN8A Q9UQD0 9/20 0.42
SCN1A P35498 7/20 0.42
PIK3CD O00329 1/20 0.42
MCHR1 Q99705 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PDE9A O76083 1/20 0.40
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 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
SCHEMBL8095793 0.93 SCN8A (0.46) HCRTR1HCRTR2SCN8ASCN1AHRH3
SCHEMBL5532351 0.91 HCRTR1 (0.44) HCRTR1HCRTR2SCN8ASCN1APDE9A
SCHEMBL5528217 0.81 HRH3 (0.52) HCRTR1HCRTR2HRH3CYP2D6
SCHEMBL5532322 0.77 SLC2A1 (0.45) HCRTR1HCRTR2HRH3
SCHEMBL5532956 0.76 MCHR1 (0.53) HCRTR1HCRTR2SCN8ASCN1APIK3CD
SCHEMBL5531767 0.74 HCRTR1 (0.51) HCRTR1HCRTR2HTTALDH1A1MAPT
SCHEMBL5532963 0.74 NCF1 (0.58) HRH3
SCHEMBL5532160 0.74 HTR1D (0.44) HCRTR1HCRTR2HRH3
SCHEMBL5528119 0.73 ADAM17 (0.44) HCRTR1HCRTR2HRH3
SCHEMBL8100066 0.72 ROCK1 (0.53) HCRTR1HCRTR2MCHR1CYP2D6ALDH1A1

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 3 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

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 HCRTR1 887/4885HCRTR2 374/4885SCN8A 103/4885

“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.