SCHEMBL8095794

SCHEMBL8095794

Cc1cc(OC2CCN(Cc3ccccc3)CC2)c2cc(C#N)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
NSD2 O96028 1/20 0.45
NCF1 P14598 1/20 0.45
ACHE P22303 2/20 0.45
POLB P06746 1/20 0.44
ROCK1 Q13464 2/20 0.43
ROCK2 O75116 1/20 0.43
CCR2 P41597 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.43
ALDH1A1 P00352 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL5532964 0.90 HRH3 (0.58) HRH3SMN1; SMN2MAOAMAOBNSD2
SCHEMBL8100848 0.89 HRH3 (0.44) HRH3MAOAMAOBACHEHTR1D
SCHEMBL5531637 0.88 HRH3 (0.51) HRH3SMN1; SMN2NCF1ROCK2HTR1A
SCHEMBL8095832 0.87 HRH3 (0.50) HRH3MAOAMAOBHTR1D
SCHEMBL5532963 0.85 NCF1 (0.58) HRH3SMN1; SMN2MAOAMAOBNCF1
SCHEMBL5532724 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MAOAMAOBNCF1POLB
SCHEMBL4249271 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MAOAMAOBNCF1ACHE
SCHEMBL13945372 0.85 SMN1; SMN2 (0.52) SMN1; SMN2MAOAMAOBNCF1ACHE
SCHEMBL5523132 0.84 DNMT3A (0.52) SMN1; SMN2MAOAMAOBACHEROCK1
SCHEMBL8096407 0.84 CHRM4 (0.40) HRH3MAOAMAOBHTR1D

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 2 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
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 1043/4885SMN1; SMN2 1490/4885MAOA 2091/4885

“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.