SCHEMBL8092017

SCHEMBL8092017

COc1ccc(CN2CCC(Oc3cc(C)nc4c(F)cccc34)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.49
TLR8 Q9NR97 3/20 0.49
TLR7 Q9NYK1 3/20 0.49
OXTR P30559 4/20 0.43
TRPV6 Q9H1D0 1/20 0.42
SCN1A P35498 2/20 0.41
SCN8A Q9UQD0 2/20 0.41
AVPR1A P37288 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
PIK3CA P42336 3/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKAA2 P54646 2/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 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
SCHEMBL8100160 0.87 HTR1A (0.45) SCN1ASCN8AHTR1DDRD4POLB
SCHEMBL5526683 0.85 SCN1A (0.50) SCN1ASCN8A
SCHEMBL8097670 0.85 CCR3 (0.43) HTR1DDRD4POLB
SCHEMBL13945322 0.84 SCN9A (0.46) TLR9TLR8TLR7TRPV6SCN1A
SCHEMBL8102253 0.84 HTR1A (0.47) SCN1ASCN8AHTR1DDRD4
SCHEMBL4246391 0.84 SCN1A (0.42) SCN1ASCN8AHTR1DDRD4POLB
SCHEMBL8104062 0.83 ACHE (0.48) SCN1ASCN8AHTR1D
SCHEMBL8095861 0.83 KCNH2 (0.41) SCN1ASCN8AHTR1DPOLB
SCHEMBL8108269 0.82 RAB9A (0.47) SCN1ASCN8ARAB9A
SCHEMBL8085163 0.81 SCN1A (0.47) TLR9TLR8TLR7SCN1ASCN8A

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 TLR9 3821/4885TLR8 2661/4885TLR7 3299/4885

“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.