SCHEMBL5532322

SCHEMBL5532322

Cc1cc(OC2CCN(CC(C)C)CC2)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
HRH3 Q9Y5N1 6/20 0.44
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
MMP17 Q9ULZ9 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
HTR1D P28221 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 2/20 0.41
HTR1B P28222 2/20 0.41

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
SCHEMBL5532963 0.85 NCF1 (0.58) HRH3HTR1DHTR1AHTR1BNCF1
SCHEMBL5532160 0.85 HTR1D (0.44) HRH3TLR9TLR8TLR7HCRTR1
SCHEMBL5528119 0.84 ADAM17 (0.44) HRH3TLR9TLR8TLR7ADAM17
SCHEMBL5537578 0.83 HTR1A (0.53) DRD2HRH3MMP2MMP9MMP13
SCHEMBL5527371 0.83 HTR1D (0.49) HRH3TLR9TLR8TLR7ADAM17
SCHEMBL5528217 0.83 HRH3 (0.52) HRH3HCRTR1HCRTR2KMT2AHTR1A
SCHEMBL5529119 0.82 SCN5A (0.48) TLR9TLR8TLR7HTR1DHTR1A
SCHEMBL8095793 0.81 SCN8A (0.46) HRH3HCRTR1HCRTR2
SCHEMBL14437441 0.81 NCF1 (0.51) TLR9TLR8TLR7MMP2MMP13
SCHEMBL5529815 0.81 NCF1 (0.51) HTR1DMEN1KMT2AHTR1AHTR1B

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 SLC2A1 2691/4885DRD4 2279/4885DRD2 1679/4885

“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.