SCHEMBL1532874

SCHEMBL1532874

COc1cc(C=Cc2nnc(-c3ccc(F)cc3)[nH]2)ccc1-n1cnc(C)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.64
PSEN2 P49810 20/20 0.64
APH1B Q8WW43 20/20 0.64
NCSTN Q92542 20/20 0.64
APH1A Q96BI3 20/20 0.64
PSENEN Q9NZ42 20/20 0.64
KCNH2 Q12809 4/20 0.58
APP P05067 1/20 0.52

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
SCHEMBL1532871 1.00 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1533460 0.90 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1533457 0.90 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12408282 0.88 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1533068 0.86 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1533065 0.86 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1533371 0.85 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1533368 0.85 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24913724 0.85 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1533195 0.84 PSEN1 (0.61) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992618-B1 POLYCYCLIC CINNAMIDE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2012-01-18 EP claimed
US-7897632-B2 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-01 US claimed
US-20100168095-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES KIMURA TEIJI 2010-07-01 US claimed
EP-1992618-A1 POLYCYCLIC CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-11-19 EP claimed
US-20070219181-A1 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. 2007-09-20 US claimed
EP-1992618-B1 POLYCYCLIC CINNAMIDE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2012-01-18 EP disclosed
US-7973033-B2 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110112138-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES KIMURA TEIJI 2011-05-12 US disclosed
US-7897632-B2 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-01 US disclosed
US-20100168095-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES KIMURA TEIJI 2010-07-01 US disclosed
US-7713993-B2 Multi-cycle cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-11 US disclosed
EP-1992618-A1 POLYCYCLIC CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-11-19 EP disclosed
US-20070219181-A1 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. 2007-09-20 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 (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-20110112138-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES BACE1, APP, PSEN1 PSEN1 3/4885PSEN2 6/4885APH1B 13/4885
US-20070219181-A1 Multi-cyclic cinnamide derivatives BACE1, APP, PSEN1 PSEN1 3/4885PSEN2 6/4885APH1B 13/4885
US-20100168095-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES BACE1, APP, PSEN1 PSEN1 3/4885PSEN2 6/4885APH1B 13/4885

“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.