SCHEMBL5420575

SCHEMBL5420575

Fc1ccc(Br)c(CC(c2ccco2)C2CCCN2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.34
CHRM3 P20309 3/20 0.34
CHRM1 P11229 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 4/20 0.32
TACR1 P25103 1/20 0.32
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5411068 0.91 CHRM5 (0.34) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL5654799 0.83 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL5654222 0.78 CHRM5 (0.36) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL5413183 0.76 SLC6A2 (0.37) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL5405564 0.76 BACE1 (0.38) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL5413416 0.74 SLC6A2 (0.42) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL5421822 0.74 SLC6A2 (0.37) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL5405817 0.74 SLC6A2 (0.40) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL5411009 0.73 SLC6A2 (0.40) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL5420717 0.71 SLC6A2 (0.39) CHRM5CHRM3CHRM1SLC6A2SLC6A4

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-7285550-B2 Triazolotriazines and pyrazolotriazines and methods of making and using the same BIOGEN IDEC MA INC. (US) 2007-10-23 US disclosed
US-20060276475-A1 Triazolotriazines and pyrazolotriazines and methods of making and using the same BIOGEN IDEC MA INC. 2006-12-07 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-20060276475-A1 Triazolotriazines and pyrazolotriazines and methods of making and using the same ADORA2A, ADORA3, ADORA1 CHRM5 73/4885CHRM3 166/4885CHRM1 103/4885

“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.