SCHEMBL21887527

SCHEMBL21887527

CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2Nc1nc2c(-c3ccccc3C(F)(F)F)ccc(C(F)(F)F)n2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.43
PSEN2 P49810 8/20 0.43
APH1B Q8WW43 8/20 0.43
NCSTN Q92542 8/20 0.43
APH1A Q96BI3 8/20 0.43
PSENEN Q9NZ42 8/20 0.43
KCNH2 Q12809 2/20 0.43
PI4KB Q9UBF8 3/20 0.43
JAK3 P52333 10/20 0.38
PTK2 Q05397 10/20 0.38
JAK2 O60674 9/20 0.38
PDK2 Q15119 1/20 0.35

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
SCHEMBL18615186 1.00 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21886984 0.91 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21887007 0.88 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615056 0.88 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20474447 0.87 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21886948 0.87 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21886951 0.87 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21887065 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615220 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21726871 0.82 PSEN1 (0.64) 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.