SCHEMBL8100440

SCHEMBL8100440

Cc1cc(OC2CCN(Cc3ccccc3-c3nnn[nH]3)CC2)c2cc(F)cc(F)c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.35
GRM2 Q14416 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SCN1A P35498 3/20 0.33
SCN8A Q9UQD0 3/20 0.33
LMNA P02545 1/20 0.33
HTR7 P34969 1/20 0.33
HTR1D P28221 1/20 0.33
CHRM4 P08173 1/20 0.33
DHODH Q02127 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
DCPS Q96C86 1/20 0.32

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
SCHEMBL4241800 0.93 PDE4B (0.37) PDE4BLMNAHTR7HTR1DEHMT2
SCHEMBL4242852 0.92 PDE4B (0.36) PDE4BOPRM1OPRK1OPRL1ALDH1A1
SCHEMBL4242109 0.89 CHRM4 (0.40) GRM2OPRM1OPRK1OPRL1HTR7
SCHEMBL8094478 0.85 MEN1 (0.40) HTR7HTR1DCHRM4MEN1KMT2A
SCHEMBL8097687 0.85 PDE4B (0.38) PDE4BALDH1A1LMNAHTR7EHMT2
SCHEMBL8087944 0.82 GRIN1 (0.38) HTR1DDHODHMEN1KMT2A
SCHEMBL8096594 0.82 HTR1D (0.40) OPRM1OPRK1OPRL1ALDH1A1SCN1A
SCHEMBL8096925 0.82 HTR1D (0.37) HTR7HTR1DEHMT2MEN1KMT2A
SCHEMBL8096424 0.82 CHRM4 (0.41) GRM2ALDH1A1HTR1DCHRM4
SCHEMBL8096419 0.82 CHRM4 (0.41) GRM2ALDH1A1LMNAHTR1DCHRM4

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 PDE4B 1060/4885GRM2 163/4885OPRM1 191/4885

“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.