SCHEMBL21886930

SCHEMBL21886930

Fc1ccc(C2CCCn3nc(N[C@@H]4[C@@H]5CC[C@H]4CNC5)nc32)c(F)c1F

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 16/20 0.65
PSEN2 P49810 16/20 0.65
APH1B Q8WW43 16/20 0.65
NCSTN Q92542 16/20 0.65
APH1A Q96BI3 16/20 0.65
PSENEN Q9NZ42 16/20 0.65
KCNH2 Q12809 2/20 0.61
NOTCH1 P46531 1/20 0.61
APP P05067 4/20 0.50

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
SCHEMBL18615142 1.00 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615144 1.00 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18636523 1.00 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24140030 0.97 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21356373 0.97 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21356375 0.97 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21356371 0.97 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615096 0.84 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21887058 0.84 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615097 0.84 PSEN1 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604517-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-31 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 (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-10604517-B2 Bridged piperidine derivatives HPGDS, APP, PSEN1 PSEN1 3/4885PSEN2 11/4885APH1B 18/4885

“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.