SCHEMBL8087938

SCHEMBL8087938

COc1cc(F)c2nc(C)cc(OC3CCN(Cc4c(F)cccc4C#N)CC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.38
SLC2A1 P11166 1/20 0.37
PDE10A Q9Y233 4/20 0.36
ADRB2 P07550 1/20 0.35
GPR6 P46095 1/20 0.34
ACHE P22303 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AR P10275 1/20 0.34
SCN1A P35498 1/20 0.34
SCN8A Q9UQD0 1/20 0.34

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
SCHEMBL13945390 0.90 AR (0.39) CHRM4ARSCN1ASCN8A
SCHEMBL8096407 0.82 CHRM4 (0.40) CHRM4GPR6
SCHEMBL8096393 0.81 CHRM4 (0.40) CHRM4ACHESCN1ASCN8A
SCHEMBL8088026 0.81 HTR2C (0.40) CHRM4ACHEARSCN1ASCN8A
SCHEMBL8095861 0.81 KCNH2 (0.41) MAPK1SMN1; SMN2ARSCN1ASCN8A
SCHEMBL13945393 0.78 ADRB2 (0.51) ADRB2GPR6
SCHEMBL8100160 0.78 HTR1A (0.45) ACHESCN1ASCN8A
SCHEMBL4241073 0.77 CHRM4 (0.42) CHRM4PDE10AACHE
SCHEMBL8102253 0.77 HTR1A (0.47) SCN1ASCN8A
SCHEMBL13945444 0.76 S1PR5 (0.39) ADRB2GPR6ACHE

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 CHRM4 413/4885SLC2A1 1908/4885PDE10A 578/4885

“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.