SCHEMBL2544648

SCHEMBL2544648

CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.51
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
IDO2 Q6ZQW0 1/20 0.49
VEGFA P15692 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
FAAH O00519 1/20 0.48
PLA2G7 Q13093 1/20 0.47
MGLL Q99685 1/20 0.47
ABHD6 Q9BV23 1/20 0.47
GPR183 P32249 1/20 0.46
TBK1 Q9UHD2 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
GLS O94925 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 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
SCHEMBL27677145 0.87 FAAH (0.47) IDO1TDO2IDO2VEGFAEGLN1
SCHEMBL20566886 0.87 FAAH (0.50) IDO1TDO2IDO2VEGFAEGLN1
SCHEMBL20567707 0.85 FAAH (0.46) IDO1TDO2IDO2VEGFAEGLN1
SCHEMBL18064777 0.85 IDO1 (0.46) IDO1TDO2IDO2VEGFAEGLN1
SCHEMBL24507281 0.85 IDO1 (0.49) IDO1TDO2IDO2VEGFAEGLN1
SCHEMBL21618386 0.85 VEGFA (0.54) IDO1TDO2IDO2VEGFAEGLN1
SCHEMBL15330227 0.85 IDO1 (0.49) IDO1TDO2IDO2VEGFAEGLN1
SCHEMBL30560055 0.85 IDO1 (0.49) IDO1TDO2IDO2VEGFAEGLN1
SCHEMBL20567152 0.84 FAAH (0.48) IDO1TDO2IDO2VEGFAEGLN1
SCHEMBL10315731 0.83 IDO1 (0.48) IDO1TDO2IDO2VEGFAEGLN1

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-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D PREP 4554/4885IDO1 2989/4885TDO2 3581/4885

“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.