SCHEMBL8102391

SCHEMBL8102391

Cc1cc(OC2CCN(C(C)c3ccccc3-c3nnn[nH]3)CC2)c2cc(F)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.40
SCN8A Q9UQD0 3/20 0.34
SCN1A P35498 2/20 0.34
SCD O00767 3/20 0.34
CYP2D6 P10635 2/20 0.33
GPR6 P46095 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
IDO1 P14902 1/20 0.32
RBP4 P02753 1/20 0.32
TTR P02766 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4242109 0.83 CHRM4 (0.40) CHRM4SCD
SCHEMBL8094110 0.80 HTR1D (0.39) CHRM4SCDCYP2D6GPR6
SCHEMBL8096419 0.79 CHRM4 (0.41) CHRM4SCDHRH3ALDH1A1
SCHEMBL8096424 0.79 CHRM4 (0.41) CHRM4SCDCYP2D6GPR6HRH3
SCHEMBL8094309 0.76 HTR1D (0.43) CHRM4SCD
SCHEMBL8096247 0.76 HTR1D (0.45) CHRM4SCN8ASCN1AALDH1A1
SCHEMBL8087944 0.73 GRIN1 (0.38)
SCHEMBL8096925 0.73 HTR1D (0.37)
SCHEMBL8096594 0.73 HTR1D (0.40) SCN8ASCN1AALDH1A1
SCHEMBL8100176 0.72 CHRM4 (0.32) CHRM4

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 413/4885SCN8A 117/4885SCN1A 105/4885

“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.