SCHEMBL20138679

SCHEMBL20138679

CC(C)n1nc(Br)nc1Oc1ccc(OC(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HSD11B1 P28845 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
MGLL Q99685 1/20 0.31
S1PR1 P21453 2/20 0.31
PDE2A O00408 2/20 0.31
PTDSS1 P48651 1/20 0.30
TRPA1 O75762 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL20159583 0.88 PDE2A (0.37) PDE2A
SCHEMBL20142944 0.86 AR (0.33) ARMGLLS1PR1
SCHEMBL20159274 0.86 HTR2A (0.37) ARHTR2AMGLL
SCHEMBL20159329 0.85 PLA2G7 (0.40)
SCHEMBL29623386 0.85 PLA2G7 (0.40)
SCHEMBL20138669 0.84 HTR2A (0.41) HTR2AHTR2CHTR2BPDE2A
SCHEMBL20140248 0.82 F10 (0.38) HTR2AHTR2CHTR2B
SCHEMBL20159209 0.79 HSD11B1 (0.35) HSD11B1S1PR1PDE2ATRPA1
SCHEMBL20138676 0.78 ESR1 (0.30)
SCHEMBL20142994 0.77 MAPT (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
EP-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
EP-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
EP-3538516-A1 PHENOXYTRIAZOLES F. Hoffmann-La Roche AG (CH) 2019-09-18 EP disclosed
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 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 (2 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-20210309653-A1 PHENOXYTRIAZOLES HTT, PSEN1, APP AR 4377/4885HTR2A 6/4885HTR2C 54/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 AR 4276/4885HTR2A 8/4885HTR2C 68/4885

“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.