SCHEMBL17210352

SCHEMBL17210352

FC(F)(F)C1CCN(c2ncc(Br)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.41
GRM2 Q14416 2/20 0.41
GRM3 Q14832 2/20 0.41
MBOAT4 Q96T53 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
CHRM4 P08173 1/20 0.34
MAP3K12 Q12852 3/20 0.34
CYP3A4 P08684 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL17202235 0.86 ACACB (0.38) GRM2GRM3MBOAT4KDM4E
SCHEMBL24894887 0.83 GRM2 (0.44) GRM2GRM3KDM4EMAP3K12CHRM3
SCHEMBL29197107 0.83 GRM2 (0.44) GRM2GRM3KDM4EMAP3K12CHRM3
SCHEMBL25195654 0.83 GRM2 (0.44) GRM2GRM3KDM4EMAP3K12CHRM3
SCHEMBL17202204 0.80 MAP4K4 (0.39) MAP4K4TRPV3KDM4EMAPTMAP3K12
SCHEMBL25253230 0.80 MAP4K4 (0.50) MAP4K4MBOAT4TRPV3KDM4EMAPT
SCHEMBL30395333 0.80 MAP4K4 (0.50) MAP4K4MBOAT4TRPV3KDM4EMAPT
SCHEMBL30141570 0.79 GRM2 (0.40) GRM2GRM3KDM4ECHRM4
SCHEMBL25256879 0.79 MAP4K4 (0.38) MAP4K4MBOAT4TRPV3KDM4EMAPT
SCHEMBL31532331 0.79 MAP4K4 (0.38) MAP4K4MBOAT4TRPV3KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
WO-2015164643-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2015-10-29 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 (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-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 MAP4K4 2568/4885GRM2 427/4885GRM3 405/4885

“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.