SCHEMBL6905231

SCHEMBL6905231

Fc1ccc(-c2cccn3nc(N[C@H]4CCN(c5ccnc(C(F)(F)F)c5)C[C@H]4F)nc23)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.53
PSEN2 P49810 17/20 0.53
APH1B Q8WW43 17/20 0.53
NCSTN Q92542 17/20 0.53
APH1A Q96BI3 17/20 0.53
PSENEN Q9NZ42 17/20 0.53
PI4KB Q9UBF8 4/20 0.53
KCNH2 Q12809 1/20 0.36
JAK2 O60674 3/20 0.35
JAK3 P52333 3/20 0.35
PTK2 Q05397 3/20 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
SCHEMBL2271225 1.00 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2277846 0.91 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6903771 0.91 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2274709 0.88 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6905237 0.87 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12454799 0.87 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2347030 0.87 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2271070 0.80 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6904224 0.79 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2354141 0.79 PSEN1 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 PSEN1 3/4885PSEN2 6/4885APH1B 10/4885

“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.