SCHEMBL8096247

SCHEMBL8096247

Cc1cc(OC2CCN(Cc3cccc(-c4nnn[nH]4)c3)CC2)c2cc(F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.45
CHRM4 P08173 1/20 0.40
HTR1B P28222 9/20 0.39
HTR1A P08908 8/20 0.39
SCN1A P35498 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ENPP2 Q13822 1/20 0.37
HTR7 P34969 1/20 0.36
ROCK2 O75116 1/20 0.36
CCR2 P41597 1/20 0.36
ROCK1 Q13464 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL8094309 0.91 HTR1D (0.43) HTR1DCHRM4HTR1BHTR1ASMN1; SMN2
SCHEMBL8094627 0.88 CHEK2 (0.44) HTR1DHTR1BHTR1ASMN1; SMN2ROCK2
SCHEMBL8094110 0.85 HTR1D (0.39) HTR1DCHRM4HTR1BHTR1A
SCHEMBL4242109 0.85 CHRM4 (0.40) HTR1DCHRM4HTR1BHTR1ASMN1; SMN2
SCHEMBL8096419 0.84 CHRM4 (0.41) HTR1DCHRM4HTR1BHTR1AALDH1A1
SCHEMBL8096424 0.84 CHRM4 (0.41) HTR1DCHRM4HTR1BHTR1AALDH1A1
SCHEMBL13945372 0.83 SMN1; SMN2 (0.52) HTR1DCHRM4HTR1BHTR1ASCN1A
SCHEMBL8087949 0.80 SCN1A (0.45) HTR1DHTR1BHTR1ASCN1ASCN8A
SCHEMBL13945359 0.78 HTR1D (0.51) HTR1DHTR1BHTR1ASCN1ASCN8A
SCHEMBL8095863 0.77 HTR1D (0.52) HTR1DHTR1BHTR1ASCN1ASCN8A

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 413/4885HTR1B 354/4885

“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.