SCHEMBL8102582

SCHEMBL8102582

COc1cccc2c(OC3CCN(Cc4ccccc4C#N)CC3)cc(C)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.49
CYP3A4 P08684 3/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1D P28221 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HTR4 Q13639 1/20 0.42
PDE10A Q9Y233 1/20 0.41
ACHE P22303 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
GNAI3 P08754 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 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
SCHEMBL8088026 0.89 HTR2C (0.40) DPP4CYP3A4HTR7HTR2BHTR4
SCHEMBL4241073 0.89 CHRM4 (0.42) DPP4CYP3A4PDE10AACHECHRM4
SCHEMBL13969375 0.86 HTR1D (0.42) DPP4CYP3A4HTR1DHTR7HTR2B
SCHEMBL8096573 0.85 CYP3A4 (0.40) DPP4CYP3A4MEN1KMT2AHTR2A
SCHEMBL8094318 0.84 SMN1; SMN2 (0.51) MEN1KMT2AACHEDRD2DRD4
SCHEMBL4242392 0.82 CHRM4 (0.49) DPP4CYP3A4HTR1DPDE10ACHRM4
SCHEMBL8100848 0.81 HRH3 (0.44) DPP4CYP3A4HTR1DACHEDRD2
SCHEMBL13945453 0.80 CYP3A4 (0.47) DPP4CYP3A4MEN1KMT2AHTR1D
SCHEMBL8094629 0.80 DPP4 (0.47) DPP4CYP3A4HTR1DPDE10AACHE
SCHEMBL8094478 0.79 MEN1 (0.40) CYP3A4MEN1KMT2AHTR1DHTR2A

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 DPP4 3459/4885CYP3A4 1573/4885MEN1 4478/4885

“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.