SCHEMBL18794869

SCHEMBL18794869

CN(CC(=O)OC(C)(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.44
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
RXRA P19793 3/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
P2RX1 P51575 1/20 0.37
CES2 O00748 1/20 0.37
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
CETP P11597 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL18794873 0.79 TACR1 (0.52) TACR1RXRAP2RX1CES2RXRB
SCHEMBL18794847 0.78 TACR1 (0.48) TACR1P2RX1CES2L3MBTL1
SCHEMBL1972923 0.76 TACR1 (0.49) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL6437793 0.74 MEN1 (0.42)
SCHEMBL25803948 0.74 PSEN1 (0.37) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL3289244 0.72 AR (0.51) RXRARXRBRXRG
SCHEMBL18814523 0.72 PSEN1 (0.62) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL9135626 0.71 CYP1A2 (0.43)
SCHEMBL1969523 0.71 CACNA1G (0.40) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL30936758 0.71 RIPK1 (0.40) RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181067-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2020-06-11 US disclosed
US-20200181067-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2020-06-11 US disclosed
US-10604476-B2 Fluorinated amide derivatives and their uses as therapeutic agents TRILLIUM THERAPEUTICS INC. (CA) 2020-03-31 US disclosed
US-20180334425-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2018-11-22 US disclosed
EP-3368509-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS Trillium Therapeutics Inc. (CA) 2018-09-05 EP disclosed
WO-2017070795-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2017-05-04 WO disclosed
WO-2017070795-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2017-05-04 WO 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 (3 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-20180334425-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS GRIN2A, ACHE, BDNF TACR1 2047/4885PSEN1 83/4885PSEN2 75/4885
US-10604476-B2 Fluorinated amide derivatives and their uses as therapeutic agents GRIN2A, ACHE, BDNF TACR1 2047/4885PSEN1 83/4885PSEN2 75/4885
US-20200181067-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS GRIN2A, ACHE, BDNF TACR1 2047/4885PSEN1 83/4885PSEN2 75/4885

“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.