SCHEMBL21700438

SCHEMBL21700438

Cc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCC4(C(F)(F)F)CC4)cccn3n2)n1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.79
PSEN2 P49810 20/20 0.79
APH1B Q8WW43 20/20 0.79
NCSTN Q92542 20/20 0.79
APH1A Q96BI3 20/20 0.79
PSENEN Q9NZ42 20/20 0.79
PI4KB Q9UBF8 5/20 0.79
KCNH2 Q12809 2/20 0.59

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
SCHEMBL18952598 1.00 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21726904 1.00 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20609136 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21726782 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18952644 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18971202 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22916653 0.87 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21726820 0.87 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21700419 0.87 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21726891 0.87 PSEN1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386978-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP claimed
US-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-10562903-B2 Bridged piperidine derivatives PTGDR, HPGDS, PSEN1 PSEN1 3/4885PSEN2 21/4885APH1B 30/4885

“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.