SCHEMBL8280929

SCHEMBL8280929

Cc1cnc(C2CCCN(C)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.36
WNT3A P56704 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
MAP4K4 O95819 1/20 0.35
ALOX15 P16050 1/20 0.34
CXCR4 P61073 1/20 0.34
CHEK1 O14757 1/20 0.34
NMT1 P30419 1/20 0.34
KAT2B Q92831 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 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
SCHEMBL81385 0.93 WNT3A (0.38) HRH4WNT3AALOX15CHEK1TLR9
SCHEMBL8280917 0.80 TLR9 (0.38) TLR9TLR8TLR7
SCHEMBL2629282 0.78 DDB1 (0.36)
SCHEMBL21037728 0.76 DRD4 (0.39) CHRNA3CHEK1KAT2B
SCHEMBL14186232 0.74 DRD4 (0.46) WNT3AMAP4K4CXCR4
SCHEMBL14706996 0.73 SYK (0.36) HRH4WNT3A
SCHEMBL12951067 0.71 MAP4K4 (0.52) MAP4K4CXCR4
SCHEMBL24681893 0.70 QDPR (0.39) WNT3AALOX15
SCHEMBL6232040 0.70 KDM4E (0.38) MAP4K4
SCHEMBL12663256 0.69 HRH4 (0.41) HRH4CHEK1TLR9TLR8TLR7

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 1 patent. 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

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 HRH4 2305/4885WNT3A 2455/4885CHRNB1 4717/4885

“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.