SCHEMBL17603885

SCHEMBL17603885

FC(F)(F)c1c[nH]c(C2CCOCC2)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.32
PTGS2 P35354 1/20 0.31
IDH1 O75874 1/20 0.31
IDH2 P48735 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
KCNH2 Q12809 1/20 0.31
PIK3CA P42336 3/20 0.30
MTOR P42345 3/20 0.30
DAO P14920 1/20 0.30
FASN P49327 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
SCHEMBL14487501 0.88 HTR2C (0.32)
SCHEMBL14555680 0.84 TLR8 (0.38)
SCHEMBL17005360 0.83 TLR8 (0.40)
SCHEMBL12798680 0.81 HTR2C (0.46)
Hydrochloric Acid SCHEMBL16992579 0.80 HTR2C (0.47)
SCHEMBL17001833 0.78 HTR1F (0.39) MAP3K12KCNH2
SCHEMBL16475545 0.78 RBP4 (0.31)
SCHEMBL18965047 0.74 PARP1 (0.39) HTR1AKCNH2
SCHEMBL7906841 0.74 TDP2 (0.33) IRAK4DAO
SCHEMBL1662947 0.73 RBP4 (0.37) DRD2

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-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 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-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE PDE3A, PDE2A, PDE5A MAP3K12 3228/4885PTGS2 424/4885IDH1 819/4885

“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.