SCHEMBL8094110

SCHEMBL8094110

Cc1cc(OC2CCN(Cc3c(F)cccc3-c3nnn[nH]3)CC2)c2cc(F)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.39
CHRM4 P08173 4/20 0.39
HTR1A P08908 4/20 0.35
HTR1B P28222 4/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
SCD O00767 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 2/20 0.33
GPR6 P46095 2/20 0.33
DRD2 P14416 1/20 0.33
SLC6A4 P31645 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 0.89 CHRM4 (0.40) HTR1DCHRM4HTR1AHTR1BSCD
SCHEMBL8096424 0.87 CHRM4 (0.41) HTR1DCHRM4HTR1AHTR1BSCD
SCHEMBL8096419 0.87 CHRM4 (0.41) HTR1DCHRM4HTR1AHTR1BSCD
SCHEMBL8096247 0.85 HTR1D (0.45) HTR1DCHRM4HTR1AHTR1B
SCHEMBL8094309 0.84 HTR1D (0.43) HTR1DCHRM4HTR1AHTR1BSCD
SCHEMBL8102391 0.80 CHRM4 (0.40) CHRM4SCDCYP2D6GPR6
SCHEMBL8100440 0.79 PDE4B (0.35) HTR1DCHRM4
SCHEMBL4242852 0.79 PDE4B (0.36) HTR1D
SCHEMBL8087944 0.79 GRIN1 (0.38) HTR1DHTR1AHTR1BGRIN1GRIN2B
SCHEMBL8096594 0.79 HTR1D (0.40) HTR1DHTR1AHTR1B

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 HTR1D 483/4885CHRM4 413/4885HTR1A 390/4885

“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.