SCHEMBL8102279

SCHEMBL8102279

COc1ncccc1CN1CCC(Oc2cc(C)nc3c(F)cccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.42
HTR3A P46098 4/20 0.42
HTR4 Q13639 4/20 0.42
HTR2C P28335 4/20 0.42
HTR1A P08908 3/20 0.42
HTR7 P34969 3/20 0.42
SCN5A Q14524 7/20 0.41
SCN9A Q15858 7/20 0.41
KCNH2 Q12809 6/20 0.41
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
PDE4B Q07343 1/20 0.39
SCN1A P35498 2/20 0.38
SCN8A Q9UQD0 2/20 0.38
HTR2A P28223 1/20 0.38
ADRB2 P07550 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1F P30939 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 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
SCHEMBL8093682 0.89 SCN5A (0.40) HTR2BHTR3AHTR4HTR2CHTR1A
SCHEMBL8095680 0.87 PDE4B (0.46) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL13945358 0.85 AR (0.40) HTR2BHTR3AHTR4HTR2CHTR1A
SCHEMBL13945393 0.84 ADRB2 (0.51) PDE4BADRB2GPR6MEN1KMT2A
SCHEMBL5526683 0.83 SCN1A (0.50) SCN5ASCN9AKCNH2SCN1ASCN8A
SCHEMBL8095861 0.83 KCNH2 (0.41) HTR2BHTR3AHTR4HTR2CHTR1A
SCHEMBL8100325 0.83 JAK2 (0.39) HTR2BHTR3AHTR4HTR2CHTR1A
SCHEMBL8102253 0.83 HTR1A (0.47) HTR1AHTR1DHTR1BSCN1ASCN8A
SCHEMBL13945322 0.83 SCN9A (0.46) SCN9ASCN1ASCN8ADRD2DRD3
SCHEMBL8100160 0.81 HTR1A (0.45) HTR1AHTR1DHTR1BSCN1ASCN8A

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 HTR2B 331/4885HTR3A 336/4885HTR4 401/4885

“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.