SCHEMBL18952829

SCHEMBL18952829

Nc1nc2c(OCC(F)F)ccc(C(F)(F)F)n2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
KCNH2 Q12809 2/20 0.46
PI4KB Q9UBF8 1/20 0.46
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 6/20 0.35
GAA P10253 5/20 0.35
HPGD P15428 4/20 0.35
GLA P06280 3/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
KPNA2 P52292 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 2/20 0.32

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
SCHEMBL18952612 0.85 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18952839 0.84 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18952819 0.83 KDM4E (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18952728 0.78 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18970496 0.76 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18952891 0.76 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18970495 0.76 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18971036 0.74 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18971123 0.73 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18970494 0.73 PSEN1 (0.35) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386978-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
EP-3386978-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
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
US-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 US disclosed
US-20190010156-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-01-10 US disclosed
EP-3386978-A1 BRIDGED PIPERIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-10-17 EP disclosed
WO-2017097728-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 WO 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 (3 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
US-20190010156-A1 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.