Sugi Predict

Sugi Predict / Compounds / SCHEMBL21050448

SCHEMBL21050448

SCHEMBL21050448

COc1cc(N2C[C@H]3CC[C@@H](C2)C3N)ccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 6/20 0.45
▸ PSEN2 P49810 6/20 0.45
▸ APH1B Q8WW43 6/20 0.45
▸ NCSTN Q92542 6/20 0.45
▸ APH1A Q96BI3 6/20 0.45
▸ PSENEN Q9NZ42 6/20 0.45
▸ APP P05067 2/20 0.43
▸ CHRM4 P08173 3/20 0.42
▸ SMARCA2 P51531 2/20 0.41
▸ SMARCA4 P51532 2/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CYP17A1 P05093 3/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ LOX P28300 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ PROKR1 Q8TCW9 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL21050446 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24083325 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21374488 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21050443 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21069145 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19787604 0.93 CHRM4 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16685020 0.85 CHRM4 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL17077952 0.84 CHRM4 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16684915 0.79 SMARCA2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31614725 0.79 CHRM4 (0.47) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084461-B2 Bicyclic heteroaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2024-09-10 — — US disclosed
CN-112566696-B Bicyclic heteroaryl derivatives 豪夫迈·罗氏有限公司 2024-01-16 — — CN disclosed
EP-3846903-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-10-25 — — EP disclosed
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 — — US disclosed
EP-3535266-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-12-29 — — EP disclosed
EP-3519418-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-12-08 — — EP 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-3475279-B1 TRIAZOLOPYRIDINES AS GAMMA-SECRETASE MODULATORS HOFFMANN LA ROCHE (CH) 2021-07-14 — — EP disclosed
EP-3475279-B1 TRIAZOLOPYRIDINES AS GAMMA-SECRETASE MODULATORS HOFFMANN LA ROCHE (CH) 2021-07-14 — — EP disclosed
EP-3484884-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 — — EP disclosed
US-10899766-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-01-26 — — US disclosed
US-10875854-B2 Triazolopyridines HOFFMANN-LA ROCHE INC. (US) 2020-12-29 — — US disclosed
US-10875854-B2 Triazolopyridines HOFFMANN-LA ROCHE INC. (US) 2020-12-29 — — US disclosed
US-10730881-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE, INC. (US) 2020-08-04 — — US disclosed
US-20200031831-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-01-30 — — US disclosed
US-20190284191-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-09-19 — — US disclosed
US-20190194183-A1 TRIAZOLOPYRIDINES HOFFMANN-LA ROCHE INC. (US) 2019-06-27 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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-12084461-B2 Bicyclic heteroaryl derivatives AR, CYP1B1, CYP1A1 PSEN1 2562/4885PSEN2 2218/4885APH1B 1072/4885
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-20190194183-A1 TRIAZOLOPYRIDINES HTR2A, APP, PTGDR PSEN1 14/4885PSEN2 32/4885APH1B 53/4885
US-20200031831-A1 BRIDGED PIPERIDINE DERIVATIVES PSEN1, APP, PRNP PSEN1 1/4885PSEN2 5/4885APH1B 11/4885
US-20190284191-A1 BICYCLIC HETEROARYL DERIVATIVES HUWE1, APP, HTT PSEN1 18/4885PSEN2 40/4885APH1B 22/4885
US-10899766-B2 Bridged piperidine derivatives PSEN1, APP, PRNP PSEN1 1/4885PSEN2 5/4885APH1B 11/4885
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
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.