SCHEMBL20609147

SCHEMBL20609147

COc1cc(N2C[C@H]3CC[C@@H](C2)[C@H]3N)cnn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.41
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
CHRNB2 P17787 5/20 0.37
CHRNB4 P30926 5/20 0.37
CHRNA3 P32297 5/20 0.37
CHRNA4 P43681 5/20 0.37
HRH4 Q9H3N8 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL20609148 1.00 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21374330 1.00 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL28433668 1.00 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL20031799 1.00 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL18970854 1.00 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23902364 1.00 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL20159697 0.91 APP (0.38) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23923654 0.82 PSEN1 (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23923655 0.82 PSEN1 (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL22111574 0.82 PSEN1 (0.41) APPPSEN1PSEN2APH1BNCSTN

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 10 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-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-3484884-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
EP-3386978-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-10730881-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE, INC. (US) 2020-08-04 US disclosed
US-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 US disclosed
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-06-13 US disclosed
US-20190010156-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-01-10 US 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 (7 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 APP 3/4885PSEN1 2/4885PSEN2 7/4885
US-10730881-B2 Fused pyrimidine derivatives APP, UPF1, PSEN1 APP 1/4885PSEN1 3/4885PSEN2 10/4885
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES PTGDR, HPGDS, PSEN1 APP 5/4885PSEN1 3/4885PSEN2 21/4885
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES APP, UPF1, PSEN1 APP 1/4885PSEN1 3/4885PSEN2 10/4885
US-10562903-B2 Bridged piperidine derivatives PTGDR, HPGDS, PSEN1 APP 5/4885PSEN1 3/4885PSEN2 21/4885
US-20190010156-A1 BRIDGED PIPERIDINE DERIVATIVES PTGDR, HPGDS, PSEN1 APP 5/4885PSEN1 3/4885PSEN2 21/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 APP 2/4885PSEN1 3/4885PSEN2 11/4885

“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.