SCHEMBL4241073

SCHEMBL4241073

COc1cc(F)cc2c(OC3CCN(Cc4ccccc4C#N)CC3)cc(C)nc12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.42
CYP3A4 P08684 3/20 0.41
DPP4 P27487 3/20 0.41
PDE10A Q9Y233 1/20 0.39
ACHE P22303 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PDE4B Q07343 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
SCHEMBL8102582 0.89 DPP4 (0.49) CHRM4CYP3A4DPP4PDE10AACHE
SCHEMBL8102908 0.88 EHMT2 (0.45) ACHEPDE4B
SCHEMBL4242392 0.85 CHRM4 (0.49) CHRM4CYP3A4DPP4PDE10A
SCHEMBL8088026 0.85 HTR2C (0.40) CHRM4CYP3A4DPP4ACHEPDE4B
SCHEMBL13945379 0.85 EHMT2 (0.47) ACHE
SCHEMBL8096573 0.84 CYP3A4 (0.40) CHRM4CYP3A4DPP4ACHEGRIN1
SCHEMBL4245783 0.84 CCR3 (0.45) PDE4B
SCHEMBL4249178 0.83 CCR3 (0.42) PDE4B
SCHEMBL13969375 0.82 HTR1D (0.42) CHRM4CYP3A4DPP4ACHE
SCHEMBL4241800 0.80 PDE4B (0.37) ACHEPDE4B

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 5 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
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
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 413/4885CYP3A4 1573/4885DPP4 3459/4885

“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.