SCHEMBL5528217

SCHEMBL5528217

Cc1cc(OC2CCN(C)CC2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
CHRM2 P08172 3/20 0.50
CHRM1 P11229 3/20 0.50
CHRM4 P08173 2/20 0.50
CHRM5 P08912 2/20 0.50
CHRM3 P20309 2/20 0.50
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
NCF1 P14598 3/20 0.45
ADRA2A P08913 2/20 0.44
ACVR1 Q04771 1/20 0.44
HTR1A P08908 1/20 0.44
CYP2D6 P10635 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5531767 0.85 HCRTR1 (0.51) HCRTR1HCRTR2NCF1CYP1A2KMT2A
SCHEMBL5537578 0.84 HTR1A (0.53) HRH3NCF1HTR1A
SCHEMBL5532160 0.84 HTR1D (0.44) HRH3HCRTR1HCRTR2NCF1HTR1A
SCHEMBL5532963 0.84 NCF1 (0.58) HRH3NCF1HTR1AKCNH2SMN1; SMN2
SCHEMBL5528119 0.83 ADAM17 (0.44) HRH3HCRTR1HCRTR2NCF1HTR1A
SCHEMBL5532322 0.83 SLC2A1 (0.45) HRH3HCRTR1HCRTR2NCF1HTR1A
SCHEMBL8095793 0.83 SCN8A (0.46) HRH3HCRTR1HCRTR2CYP2D6
SCHEMBL5529553 0.82 NCF1 (0.50) HCRTR1HCRTR2NCF1HTR1ASLC6A2
SCHEMBL5537598 0.82 NCF1 (0.50) HCRTR1HCRTR2NCF1ACVR1CYP1A2
SCHEMBL14437440 0.82 HCRTR1 (0.51) HCRTR1HCRTR2NCF1KMT2ASMN1; SMN2

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-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 HRH3 1454/4885CHRM2 472/4885CHRM1 710/4885

“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.