SCHEMBL4242392

SCHEMBL4242392

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 8/20 0.49
CYP3A4 P08684 3/20 0.47
DPP4 P27487 3/20 0.47
TACR1 P25103 2/20 0.38
HTR1D P28221 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PDE10A Q9Y233 1/20 0.37
SCD O00767 1/20 0.37
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
KCNH2 Q12809 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
SCHEMBL8100848 0.90 HRH3 (0.44) CHRM4CYP3A4DPP4HTR1DHRH3
SCHEMBL13969375 0.90 HTR1D (0.42) CHRM4CYP3A4DPP4HTR1DHRH3
SCHEMBL13945453 0.89 CYP3A4 (0.47) CHRM4CYP3A4DPP4HTR1DOPRM1
SCHEMBL8094629 0.89 DPP4 (0.47) CHRM4CYP3A4DPP4HTR1DHRH3
SCHEMBL4241073 0.85 CHRM4 (0.42) CHRM4CYP3A4DPP4PDE10A
SCHEMBL13945372 0.85 SMN1; SMN2 (0.52) CHRM4HTR1D
SCHEMBL8091569 0.84 CYP3A4 (0.49) CHRM4CYP3A4DPP4TACR1HRH1
SCHEMBL13945377 0.84 CCR3 (0.47) CHRM4HTR1DHRH1CCR3KCNH2
SCHEMBL8088026 0.84 HTR2C (0.40) CHRM4CYP3A4DPP4
SCHEMBL8095832 0.83 HRH3 (0.50) CHRM4HTR1DHRH3

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.