SCHEMBL21886895

SCHEMBL21886895

Cc1noc(N2C[C@H]3CC[C@@H](C2)[C@@H]3Nc2nc3c(-c4ccccc4)cccn3n2)n1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.66
PSEN2 P49810 19/20 0.66
APH1B Q8WW43 19/20 0.66
NCSTN Q92542 19/20 0.66
APH1A Q96BI3 19/20 0.66
PSENEN Q9NZ42 19/20 0.66
PI4KB Q9UBF8 5/20 0.52
KCNH2 Q12809 2/20 0.50
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL21887521 0.89 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615139 0.89 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18636422 0.89 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615138 0.89 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18636178 0.87 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18636179 0.87 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615151 0.87 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615153 0.87 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21886834 0.87 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615041 0.87 PSEN1 (0.67) 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.