SCHEMBL8096424

SCHEMBL8096424

Cc1cc(OC2CCN(Cc3ccc(F)cc3-c3nnn[nH]3)CC2)c2cc(F)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.41
HTR1D P28221 4/20 0.38
SCD O00767 2/20 0.35
GRM2 Q14416 1/20 0.34
HTR1A P08908 2/20 0.34
HTR1B P28222 2/20 0.34
MPO P05164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.33
GPR6 P46095 1/20 0.33
PDE2A O00408 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
SCHEMBL4242109 0.93 CHRM4 (0.40) CHRM4HTR1DSCDGRM2HTR1A
SCHEMBL8096419 0.93 CHRM4 (0.41) CHRM4HTR1DSCDGRM2HTR1A
SCHEMBL8094110 0.87 HTR1D (0.39) CHRM4HTR1DSCDHTR1AHTR1B
SCHEMBL8094309 0.86 HTR1D (0.43) CHRM4HTR1DSCDHTR1AHTR1B
SCHEMBL8096925 0.85 HTR1D (0.37) HTR1DHTR1AHTR1BTDP1
SCHEMBL8096247 0.84 HTR1D (0.45) CHRM4HTR1DHTR1AHTR1BALDH1A1
SCHEMBL8096594 0.83 HTR1D (0.40) HTR1DHTR1AHTR1BALDH1A1PDE2A
SCHEMBL8087944 0.83 GRIN1 (0.38) HTR1DHTR1AHTR1B
SCHEMBL8100440 0.82 PDE4B (0.35) CHRM4HTR1DGRM2ALDH1A1
SCHEMBL4241800 0.80 PDE4B (0.37) HTR1D

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 CHRM4 413/4885HTR1D 483/4885SCD 2298/4885

“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.