SCHEMBL8095793

SCHEMBL8095793

Cc1cc(OC2CCN(C(C)c3ccccc3)CC2)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 17/20 0.46
SCN1A P35498 12/20 0.46
HRH3 Q9Y5N1 1/20 0.44
CYP2D6 P10635 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43

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
SCHEMBL5537609 0.93 HCRTR1 (0.46) SCN8ASCN1AHRH3CYP2D6HCRTR1
SCHEMBL5532351 0.88 HCRTR1 (0.44) SCN8ASCN1ACYP2D6HCRTR1HCRTR2
SCHEMBL5528217 0.83 HRH3 (0.52) HRH3CYP2D6HCRTR1HCRTR2
SCHEMBL5532322 0.81 SLC2A1 (0.45) HRH3HCRTR1HCRTR2
SCHEMBL5531767 0.79 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL5526609 0.78 SCN8A (0.49) SCN8ASCN1A
SCHEMBL5532963 0.78 NCF1 (0.58) HRH3
SCHEMBL5532160 0.78 HTR1D (0.44) HRH3HCRTR1HCRTR2
SCHEMBL5528119 0.77 ADAM17 (0.44) HRH3HCRTR1HCRTR2
SCHEMBL5537598 0.76 NCF1 (0.50) HCRTR1HCRTR2

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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
US-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
WO-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS TRPV1, TRPV2, TRPA1 SCN8A 117/4885SCN1A 105/4885HRH3 1043/4885

“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.