SCHEMBL18952804

SCHEMBL18952804

Cc1nnc(N2C[C@H]3CC[C@@H](C2)C3N)o1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 10/20 0.38
▸ PSEN2 P49810 10/20 0.38
▸ APH1B Q8WW43 10/20 0.38
▸ NCSTN Q92542 10/20 0.38
▸ APH1A Q96BI3 10/20 0.38
▸ PSENEN Q9NZ42 10/20 0.38
▸ APP P05067 4/20 0.37
▸ RIPK1 Q13546 2/20 0.34

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
SCHEMBL18952715 1.00 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18971166 1.00 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21050393 1.00 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18971164 1.00 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20159585 0.90 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23504794 0.78 RIPK1 (0.32) RIPK1
SCHEMBL21050359 0.75 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21050361 0.75 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21050360 0.75 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18952771 0.75 PSEN1 (0.43) 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 18 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-10875854-B2 Triazolopyridines HOFFMANN-LA ROCHE INC. (US) 2020-12-29 — — US disclosed
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 — — US 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-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-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 — — US disclosed
US-20190194183-A1 TRIAZOLOPYRIDINES HOFFMANN-LA ROCHE INC. (US) 2019-06-27 — — US disclosed
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-06-13 — — 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
EP-3386978-A1 BRIDGED PIPERIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-10-17 — — EP disclosed
WO-2017097728-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 — — 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 (9 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-10730881-B2 Fused pyrimidine derivatives APP, UPF1, PSEN1 PSEN1 3/4885PSEN2 10/4885APH1B 23/4885
US-20190194183-A1 TRIAZOLOPYRIDINES HTR2A, APP, PTGDR PSEN1 14/4885PSEN2 32/4885APH1B 53/4885
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES PTGDR, HPGDS, PSEN1 PSEN1 3/4885PSEN2 21/4885APH1B 30/4885
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES APP, UPF1, PSEN1 PSEN1 3/4885PSEN2 10/4885APH1B 23/4885
US-10562903-B2 Bridged piperidine derivatives PTGDR, HPGDS, PSEN1 PSEN1 3/4885PSEN2 21/4885APH1B 30/4885
US-20190010156-A1 BRIDGED PIPERIDINE DERIVATIVES PTGDR, HPGDS, PSEN1 PSEN1 3/4885PSEN2 21/4885APH1B 30/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 PSEN1 3/4885PSEN2 11/4885APH1B 37/4885
US-10875854-B2 Triazolopyridines HTR2A, APP, PTGDR PSEN1 14/4885PSEN2 32/4885APH1B 53/4885

“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.

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