SCHEMBL8098182

SCHEMBL8098182

Cc1cc(OC2CCN(Cc3ccccc3C#N)C3CCCCC23)c2cc(F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.45
CYP3A4 P08684 9/20 0.45
CHRM4 P08173 5/20 0.38
MAPK14 Q16539 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL8100176 0.82 CHRM4 (0.32) CHRM4ATM
SCHEMBL4242392 0.81 CHRM4 (0.49) DPP4CYP3A4CHRM4
SCHEMBL8091569 0.72 CYP3A4 (0.49) DPP4CYP3A4CHRM4GRIN1GRIN2B
SCHEMBL8100326 0.72 HTR1A (0.35)
SCHEMBL8100848 0.71 HRH3 (0.44) DPP4CYP3A4CHRM4
SCHEMBL13945453 0.70 CYP3A4 (0.47) DPP4CYP3A4CHRM4
SCHEMBL8094629 0.70 DPP4 (0.47) DPP4CYP3A4CHRM4
SCHEMBL13969375 0.70 HTR1D (0.42) DPP4CYP3A4CHRM4
SCHEMBL13945403 0.68 CYP3A4 (0.42) DPP4CYP3A4
SCHEMBL4241073 0.67 CHRM4 (0.42) DPP4CYP3A4CHRM4GRIN1GRIN2B

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.