SCHEMBL18794873

SCHEMBL18794873

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.44
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
LMNA P02545 1/20 0.42
CES2 O00748 1/20 0.42
P2RX1 P51575 1/20 0.41

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
SCHEMBL18794847 0.84 TACR1 (0.48) TACR1L3MBTL1CES2P2RX1
SCHEMBL20322772 0.83 UTS2R (0.48) TACR1L3MBTL1ALDH1A1RXRARXRB
SCHEMBL20322973 0.82 SLC6A9 (0.46) L3MBTL1CES2
SCHEMBL18360373 0.81 L3MBTL1 (0.51) TACR1L3MBTL1ALDH1A1RXRARXRB
SCHEMBL18794869 0.79 TACR1 (0.44) TACR1L3MBTL1RXRARXRBRXRG
SCHEMBL15397669 0.76 TACR1 (0.59) TACR1RXRARXRBRXRGCES2
SCHEMBL5281174 0.75 TACR1 (0.44) TACR1CES2P2RX1
SCHEMBL18794853 0.74 P2RX1 (0.42) TACR1RXRARXRBRXRGP2RX1
SCHEMBL14497444 0.73 L3MBTL1 (0.42) TACR1L3MBTL1ALDH1A1RXRARXRB
Hydrochloric Acid SCHEMBL6654049 0.73 TACR1 (0.43) TACR1CES2P2RX1

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 2047/4885L3MBTL1 4350/4885ALDH1A1 940/4885
US-10604476-B2 Fluorinated amide derivatives and their uses as therapeutic agents GRIN2A, ACHE, BDNF TACR1 2047/4885L3MBTL1 4350/4885ALDH1A1 940/4885
US-20200181067-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS GRIN2A, ACHE, BDNF TACR1 2047/4885L3MBTL1 4350/4885ALDH1A1 940/4885

“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.