SCHEMBL18794853

SCHEMBL18794853

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.42
TACR1 P25103 7/20 0.40
SLC13A3 Q8WWT9 1/20 0.40
ATF1 P18846 1/20 0.36
NFKB1 P19838 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
DDR1 Q08345 2/20 0.34
POLQ O75417 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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 0.89 TACR1 (0.48) P2RX1TACR1POLQ
SCHEMBL28096130 0.78 P2RX1 (0.38) P2RX1TACR1SLC13A3ATF1NFKB1
SCHEMBL10426059 0.78 TP53 (0.46) POLQ
SCHEMBL16764150 0.75 P2RX1 (0.52) P2RX1TACR1SLC13A3ATF1NFKB1
SCHEMBL18794873 0.74 TACR1 (0.52) P2RX1TACR1RXRARXRBRXRG
SCHEMBL12436222 0.74 P2RX1 (0.51) P2RX1TACR1SLC13A3ATF1NFKB1
SCHEMBL11907625 0.73 P2RX1 (0.42) P2RX1TACR1SLC13A3ATF1NFKB1
SCHEMBL13768737 0.71 SLC13A3 (0.40) P2RX1SLC13A3DDR1
SCHEMBL13768746 0.71 SLC13A3 (0.40) P2RX1SLC13A3DDR1
SCHEMBL4006065 0.71 SLC13A3 (0.40) P2RX1SLC13A3DDR1

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 P2RX1 462/4885TACR1 2047/4885SLC13A3 1803/4885
US-10604476-B2 Fluorinated amide derivatives and their uses as therapeutic agents GRIN2A, ACHE, BDNF P2RX1 462/4885TACR1 2047/4885SLC13A3 1803/4885
US-20200181067-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS GRIN2A, ACHE, BDNF P2RX1 462/4885TACR1 2047/4885SLC13A3 1803/4885

“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.