SCHEMBL8094629

SCHEMBL8094629

Cc1cc(OC2CCN(Cc3ccccc3C#N)CC2)c2cc(Br)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.47
CYP3A4 P08684 5/20 0.47
CHRM4 P08173 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ACHE P22303 2/20 0.37
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM1 P11229 2/20 0.37
NSD2 O96028 1/20 0.37
ADRA2A P08913 1/20 0.36
MCHR1 Q99705 1/20 0.36
HTR1D P28221 1/20 0.36
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL8100848 0.90 HRH3 (0.44) DPP4CYP3A4CHRM4HRH3ACHE
SCHEMBL13969375 0.90 HTR1D (0.42) DPP4CYP3A4CHRM4HRH3ACHE
SCHEMBL13945453 0.89 CYP3A4 (0.47) DPP4CYP3A4CHRM4HRH3ACHE
SCHEMBL4242392 0.89 CHRM4 (0.49) DPP4CYP3A4CHRM4HRH3HRH1
SCHEMBL8096393 0.86 CHRM4 (0.40) DPP4CYP3A4CHRM4HRH3ACHE
SCHEMBL5532724 0.85 SMN1; SMN2 (0.49) MCHR1HTR1D
SCHEMBL13945403 0.83 CYP3A4 (0.42) DPP4CYP3A4HRH3ACHEHRH1
SCHEMBL8102582 0.80 DPP4 (0.49) DPP4CYP3A4CHRM4ACHECHRM1
SCHEMBL8088026 0.80 HTR2C (0.40) DPP4CYP3A4CHRM4ACHECHRM1
SCHEMBL8096925 0.79 HTR1D (0.37) ADRA2AMCHR1HTR1D

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 1573/4885CHRM4 413/4885

“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.