SCHEMBL6639655

SCHEMBL6639655

Nc1nccn1CCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.50
CYP2A6 P11509 1/20 0.47
HRH1 P35367 2/20 0.45
TLR8 Q9NR97 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7501008 0.84 ALDH1A1 (0.51) CHRNA7CYP2A6CYP1A2CYP2D6L3MBTL1
SCHEMBL8543898 0.83 TLR8 (0.50) TLR8CYP1A2CYP2D6L3MBTL1
SCHEMBL6636184 0.82 TLR8 (0.49) TLR8
SCHEMBL17974587 0.81 CHRNA7 (0.46) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL6638993 0.80 TLR8 (0.50) HRH1TLR8CYP1A2HRH3TDP1
SCHEMBL6640843 0.80 TLR8 (0.47) HRH1TLR8L3MBTL1
SCHEMBL6642392 0.79 TLR8 (0.46) TLR8
SCHEMBL6639142 0.77 LMNA (0.52) CHRNA7TLR8L3MBTL1
SCHEMBL6636963 0.76 TLR8 (0.43) TLR8
SCHEMBL6640697 0.76 TLR8 (0.46) TLR8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185521-B1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-10-06 EP claimed
US-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-07-17 US claimed
CN-1366521-A Substituted 1-aza-2-imino heterocycles and their use as nicotinic acetylcholine receptors activators SUNTORY LTD (JP) 2002-08-28 CN claimed
EP-1185521-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS SUNTORY LIMITED (JP) 2002-03-13 EP claimed
WO-2001081326-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTORS ACTIVATORS SUNTORY LIMITED (JP) 2001-11-01 WO claimed
EP-1185521-B1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-10-06 EP disclosed
US-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-07-17 US disclosed
CN-1366521-A Substituted 1-aza-2-imino heterocycles and their use as nicotinic acetylcholine receptors activators SUNTORY LTD (JP) 2002-08-28 CN disclosed
EP-1185521-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS SUNTORY LIMITED (JP) 2002-03-13 EP disclosed
WO-2001081326-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTORS ACTIVATORS SUNTORY LIMITED (JP) 2001-11-01 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-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators CHRNA7, CHRNA2, CHRNA1 CHRNA7 1/4885CYP2A6 311/4885HRH1 1274/4885

“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.