SCHEMBL8095832

SCHEMBL8095832

Cc1cc(OC2CCN(Cc3ccc(C#N)cc3)CC2)c2cc(F)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PRKAA2 P54646 3/20 0.47
PRKAB2 O43741 2/20 0.47
PRKAG1 P54619 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAG3 Q9UGI9 2/20 0.47
PRKAG2 Q9UGJ0 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
CHRM4 P08173 3/20 0.47
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
GPR6 P46095 5/20 0.43
AKT1 P31749 1/20 0.43
HTR1D P28221 1/20 0.42

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
SCHEMBL13945372 0.88 SMN1; SMN2 (0.52) MAOAMAOBCHRM4HTR1D
SCHEMBL8095794 0.87 HRH3 (0.58) HRH3MAOAMAOBHTR1D
SCHEMBL5532964 0.87 HRH3 (0.58) HRH3MAOAMAOBPRKAA2AKT1
SCHEMBL4242392 0.83 CHRM4 (0.49) HRH3CHRM4HTR1D
SCHEMBL5529129 0.82 HTR1D (0.52) HTR1D
SCHEMBL8095863 0.81 HTR1D (0.52) MAOAMAOBHTR1D
SCHEMBL8094309 0.81 HTR1D (0.43) CHRM4AKT1HTR1D
SCHEMBL8096407 0.79 CHRM4 (0.40) HRH3MAOAMAOBCHRM4GPR6
SCHEMBL8087949 0.79 SCN1A (0.45) HTR1D
SCHEMBL8100848 0.79 HRH3 (0.44) HRH3MAOAMAOBCHRM4GPR6

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 HRH3 1043/4885MAOA 2091/4885MAOB 1894/4885

“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.