SCHEMBL7245666

SCHEMBL7245666

CN(C)CCCN(C)c1ccc(N)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
HCAR3 P49019 1/20 0.40
TLR7 Q9NYK1 2/20 0.39
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
PKM P14618 1/20 0.35
AOC3 Q16853 1/20 0.35
POLB P06746 1/20 0.33
SYK P43405 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL23620903 0.95 HRH3 (0.44) HRH3HCAR3TLR7PKMAOC3
SCHEMBL30380846 0.89 HRH3 (0.54) HRH3HCAR3TLR7NOS1PKM
SCHEMBL3313839 0.89 HRH3 (0.54) HRH3HCAR3TLR7NOS1PKM
SCHEMBL29449725 0.87 HRH3 (0.46) HRH3HCAR3TLR7PKMAOC3
SCHEMBL23620906 0.87 HRH3 (0.46) HRH3HCAR3TLR7PKMAOC3
SCHEMBL2792146 0.86 HCAR3 (0.46) HRH3HCAR3TLR7PKMAOC3
SCHEMBL23634036 0.82 HRH3 (0.42) HRH3HCAR3TLR7PKMAOC3
SCHEMBL2793987 0.82 HCAR3 (0.57) HRH3HCAR3PKMAOC3POLB
SCHEMBL2791910 0.82 ADK (0.41) HRH3HCAR3TLR7PKMAOC3
SCHEMBL2790993 0.81 POLB (0.50) HRH3HCAR3PKMAOC3POLB

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-20030186966-A1 Amide derivatives ASTRAZENECA AB 2003-10-02 US disclosed
EP-1163212-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
WO-2000055120-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 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-20030186966-A1 Amide derivatives IL6, IL6ST, IFNG HRH3 1613/4885HCAR3 207/4885TLR7 798/4885

“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.