SCHEMBL3290992

SCHEMBL3290992

CCOC(=O)CCCOc1cccc(CC(C)N(C)C(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.46
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP13 P45452 1/20 0.43
LTA4H P09960 4/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
FAAH O00519 1/20 0.41
KCNH2 Q12809 3/20 0.41
BRD4 O60885 1/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3290983 1.00 PDK2 (0.46) PDK2MAPK1L3MBTL1CYSLTR2CYSLTR1
SCHEMBL3292496 0.88 MAOB (0.42) KCNH2CYP2D6
SCHEMBL3292503 0.88 MAOB (0.42) KCNH2CYP2D6
SCHEMBL13558492 0.83 KCNH2 (0.36) KCNH2CYP2D6
SCHEMBL13558499 0.83 ACHE (0.41) KCNH2CYP2D6
SCHEMBL3291327 0.81 MAPK1 (0.47) PDK2MAPK1L3MBTL1CYSLTR2CYSLTR1
SCHEMBL3291333 0.81 MAPK1 (0.47) PDK2MAPK1L3MBTL1CYSLTR2CYSLTR1
SCHEMBL3295098 0.79 TAAR1 (0.51)
SCHEMBL5245788 0.78 LMNA (0.46) L3MBTL1TSHRMMP13CYP2D6
SCHEMBL5408880 0.78 LMNA (0.46) L3MBTL1TSHRMMP13CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828106-B1 METHAMPHETAMINE DERIVATIVES AND CONJUGATES FOR IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2012-10-31 EP disclosed
US-7732160-B2 Methamphetamine derivatives and conjugates for immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2010-06-08 US disclosed
US-20080050843-A1 METHAMPHETAMINE DERIVATIVES AND CONJUGATES FOR IMMUNOASSAY HUI RAYMOND A 2008-02-28 US disclosed
US-7294649-B2 Methamphetamine derivatives and conjugates for immunoassay ROCHE DIAGNOSTICS OPERATINS, INC. (US) 2007-11-13 US disclosed
US-20060134711-A1 Methamphetamine derivatives and conjugates for immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2006-06-22 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-20060134711-A1 Methamphetamine derivatives and conjugates for immunoassay PNMT, COMT, MCHR1 PDK2 3713/4885MAPK1 660/4885L3MBTL1 518/4885

“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.