SCHEMBL18970855

SCHEMBL18970855

CC(Oc1cccn2nc(N[C@@H]3[C@@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)nc12)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.66
PSEN2 P49810 15/20 0.66
APH1B Q8WW43 15/20 0.66
NCSTN Q92542 15/20 0.66
APH1A Q96BI3 15/20 0.66
PSENEN Q9NZ42 15/20 0.66
PI4KB Q9UBF8 4/20 0.63
KCNH2 Q12809 1/20 0.46
JAK2 O60674 5/20 0.45
JAK3 P52333 5/20 0.45
PTK2 Q05397 5/20 0.45

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
SCHEMBL18970917 1.00 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18970963 0.84 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21726790 0.84 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21726900 0.84 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18972992 0.84 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21887005 0.83 JAK2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18636494 0.83 JAK2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615149 0.83 JAK2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18970844 0.83 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21726840 0.82 PSEN1 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 US disclosed
WO-2017097728-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 WO 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 (2 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-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES PTGDR, HPGDS, PSEN1 PSEN1 3/4885PSEN2 21/4885APH1B 30/4885
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.