SCHEMBL12425856

SCHEMBL12425856

CCC1CCN(Cc2ncco2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 16/20 0.43
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL15014476 0.84 ALDH1A1 (0.49) FAAHTLR9TLR8TLR7WNT1
SCHEMBL12424319 0.82 CYP2D6 (0.45) TLR9TLR8TLR7WNT1GSK3B
SCHEMBL12384853 0.81 TLR8 (0.40) FAAHTLR9TLR8TLR7WNT1
SCHEMBL18933195 0.81 CYP2D6 (0.39) FAAHTLR9TLR8TLR7WNT1
SCHEMBL18023854 0.80 KMT2A (0.44) TLR9TLR8TLR7WNT1GSK3B
SCHEMBL17207710 0.80 WNT1 (0.41) FAAHTLR9TLR8TLR7WNT1
SCHEMBL3070225 0.78 CYP2D6 (0.41) TLR9TLR8TLR7WNT1GSK3B
SCHEMBL18933193 0.77 LTA4H (0.41) FAAHTLR9TLR8TLR7WNT1
SCHEMBL17285987 0.77 MC4R (0.42) WNT1GSK3BDYRK1A
SCHEMBL3076356 0.76 HRH3 (0.42)

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 FAAH 3633/4885TLR9 2536/4885TLR8 2407/4885

“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.