SCHEMBL8280917

SCHEMBL8280917

Cc1cnc(C2CCCN(C(C)C)CC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 7/20 0.38
TLR8 Q9NR97 7/20 0.38
TLR7 Q9NYK1 7/20 0.38
PARP1 P09874 3/20 0.37
HRH3 Q9Y5N1 4/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 2/20 0.33

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
SCHEMBL8280929 0.80 HRH4 (0.36) TLR9TLR8TLR7
SCHEMBL18965275 0.78 HRH3 (0.36) TLR9TLR8TLR7PARP1HRH3
SCHEMBL81385 0.75 WNT3A (0.38) TLR9TLR8TLR7
SCHEMBL2629282 0.74 DDB1 (0.36)
SCHEMBL23483118 0.74 HRH3 (0.40) TLR9TLR8TLR7PARP1HRH3
SCHEMBL17896394 0.74 KDM5A (0.48) TLR9TLR8TLR7PARP1HRH3
SCHEMBL16218245 0.73 PARP1 (0.41) TLR9TLR8TLR7PARP1HRH3
SCHEMBL21038286 0.71 HRH3 (0.45) TLR9TLR8TLR7HRH3KCNH2
SCHEMBL3072050 0.71 OPRM1 (0.45) TLR9TLR8TLR7PARP1HRH3
SCHEMBL171140 0.71 HRH3 (0.36) TLR9TLR8TLR7PARP1HRH3

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-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 US disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 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-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TLR9 4713/4885TLR8 4318/4885TLR7 4064/4885

“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.