SCHEMBL23492802

SCHEMBL23492802

CC(C)n1nc(N[C@@H]2[C@@H]3CC[C@H]2CNC3)nc1Oc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.47
PSEN2 P49810 15/20 0.47
APH1B Q8WW43 15/20 0.47
NCSTN Q92542 15/20 0.47
APH1A Q96BI3 15/20 0.47
PSENEN Q9NZ42 15/20 0.47
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 2/20 0.32
HTR2A P28223 1/20 0.32
PI4KB Q9UBF8 2/20 0.32
ACACB O00763 2/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL23492800 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23492803 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20159739 0.94 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23492782 0.87 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23492776 0.87 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23492779 0.87 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23492818 0.86 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23492819 0.86 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23492822 0.86 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23492729 0.86 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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 5 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

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 PSEN1 2/4885PSEN2 7/4885APH1B 30/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 PSEN1 3/4885PSEN2 11/4885APH1B 37/4885

“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.