SCHEMBL4242852

SCHEMBL4242852

Cc1cc(OC2CCN(Cc3ccccc3-c3nnn[nH]3)CC2)c2cccc(F)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTR7 P34969 2/20 0.35
SCN1A P35498 2/20 0.34
SCN8A Q9UQD0 2/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
HTR4 Q13639 1/20 0.34
KCNH2 Q12809 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
EHMT2 Q96KQ7 1/20 0.34
ACHE P22303 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
BCHE P06276 1/20 0.33
CNR2 P34972 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
SCHEMBL8100440 0.92 PDE4B (0.35) PDE4BALDH1A1HTR7SCN1ASCN8A
SCHEMBL8094478 0.90 MEN1 (0.40) HTR7HTR1DHTR2BHTR4PHGDH
SCHEMBL4241800 0.86 PDE4B (0.37) PDE4BHTR7HTR1DEHMT2ACHE
SCHEMBL4242109 0.85 CHRM4 (0.40) HTR7HTR1DHTR2CHTR2BOPRM1
SCHEMBL13945402 0.85 SCN1A (0.37) PDE4BALDH1A1HTR7SCN1ASCN8A
SCHEMBL8095680 0.85 PDE4B (0.46) PDE4BALDH1A1HTR7SCN1ASCN8A
SCHEMBL8097687 0.85 PDE4B (0.38) PDE4BALDH1A1HTR7EHMT2ACHE
SCHEMBL8096594 0.82 HTR1D (0.40) ALDH1A1HTR7SCN1ASCN8AHTR1D
SCHEMBL8087944 0.82 GRIN1 (0.38) HTR1D
SCHEMBL8096925 0.82 HTR1D (0.37) HTR7HTR1DHTR2CHTR2BEHMT2

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 PDE4B 1060/4885ALDH1A1 2694/4885HTR7 395/4885

“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.