SCHEMBL8096573

SCHEMBL8096573

COc1ccc(F)c2c(OC3CCN(Cc4ccccc4C#N)CC3)cc(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
DPP4 P27487 3/20 0.40
SLC6A3 Q01959 1/20 0.40
PDE4B Q07343 1/20 0.40
ACHE P22303 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CHRM4 P08173 1/20 0.37
POLB P06746 1/20 0.37

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 0.85 DPP4 (0.49) CYP3A4DPP4ACHEMEN1KMT2A
SCHEMBL8087921 0.85 SCN8A (0.46) ACHEMEN1KMT2ASMN1; SMN2POLB
SCHEMBL4241073 0.84 CHRM4 (0.42) CYP3A4DPP4PDE4BACHEGRIN1
SCHEMBL8088026 0.83 HTR2C (0.40) CYP3A4DPP4PDE4BACHEHTR2C
SCHEMBL8097687 0.80 PDE4B (0.38) PDE4BACHEMEN1KMT2AKDM4E
SCHEMBL13969375 0.78 HTR1D (0.42) CYP3A4DPP4ACHEHTR2CHTR2B
SCHEMBL4242392 0.78 CHRM4 (0.49) CYP3A4DPP4CHRM4
SCHEMBL13945453 0.76 CYP3A4 (0.47) CYP3A4DPP4ACHEMEN1KMT2A
SCHEMBL8100848 0.75 HRH3 (0.44) CYP3A4DPP4ACHECHRM4GPR6
SCHEMBL8094629 0.74 DPP4 (0.47) CYP3A4DPP4ACHECHRM4CHRM1

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 CYP3A4 1573/4885DPP4 3459/4885SLC6A3 518/4885

“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.