SCHEMBL13860741

SCHEMBL13860741

CC(C)N1CCC(CN2CCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.50
ADRA2C P18825 1/20 0.50
ACHE P22303 1/20 0.44
HRH3 Q9Y5N1 10/20 0.40
SIGMAR1 Q99720 1/20 0.34
MAPT P10636 1/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
GAA P10253 1/20 0.33
KCNH2 Q12809 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
SCHEMBL10104076 0.96 CHRM5 (0.56) CHRM5ADRA2CACHEHRH3MAPT
SCHEMBL15242459 0.94 CHRM5 (0.59) CHRM5ADRA2CACHEHRH3MAPT
SCHEMBL22520769 0.91 CHRM5 (0.43) CHRM5ADRA2CACHEHRH3TLR9
SCHEMBL14453909 0.89 CHRM5 (0.41) CHRM5ADRA2CACHEHRH3TLR9
SCHEMBL24233173 0.88 ACHE (0.44) CHRM5ADRA2CACHEHRH3TLR9
SCHEMBL21477202 0.87 CHRM5 (0.39) CHRM5ADRA2CACHEHRH3SIGMAR1
SCHEMBL15242464 0.84 CHRM5 (0.47) CHRM5ADRA2CACHEHRH3MAPT
SCHEMBL23205756 0.84 CHRM5 (0.47) CHRM5ADRA2CACHEHRH3MAPT
SCHEMBL23484949 0.84 ACHE (0.60) CHRM5ADRA2CACHEHRH3TLR9
SCHEMBL13300929 0.84 HRH3 (0.46) CHRM5ADRA2CACHEHRH3TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020119739-A1 2-AMINOPYRIMIDINE COMPOUND AND APPLICATION THEREFOR 暨南大学 2020-06-18 WO disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 CHRM5 2795/4885ADRA2C 2788/4885ACHE 4805/4885

“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.