SCHEMBL21050462

SCHEMBL21050462

Cc1cc(N2C[C@H]3CC[C@@H](C2)[C@H]3NC(=O)O)ncn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 16/20 0.45
▸ PSEN2 P49810 16/20 0.45
▸ APH1B Q8WW43 16/20 0.45
▸ NCSTN Q92542 16/20 0.45
▸ APH1A Q96BI3 16/20 0.45
▸ PSENEN Q9NZ42 16/20 0.45
▸ KCNH2 Q12809 3/20 0.45
▸ NOTCH1 P46531 2/20 0.45
▸ APP P05067 4/20 0.43
▸ PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL21050466 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29637049 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21050468 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23492797 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23492799 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23492798 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21050441 0.85 CYP2C19 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21050439 0.85 CYP2C19 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21050436 0.85 CYP2C19 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21050356 0.84 PSEN1 (0.41) 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 6 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-20210323980-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2021-10-21 — — 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
US-10730881-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE, INC. (US) 2020-08-04 — — US disclosed
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-06-13 — — 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 (5 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-20210323980-A1 BICYCLIC HETEROARYL DERIVATIVES AR, CYP1B1, CYP1A1 PSEN1 2562/4885PSEN2 2218/4885APH1B 1072/4885
US-10730881-B2 Fused pyrimidine derivatives APP, UPF1, PSEN1 PSEN1 3/4885PSEN2 10/4885APH1B 23/4885
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES APP, UPF1, PSEN1 PSEN1 3/4885PSEN2 10/4885APH1B 23/4885
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.

Send feedback