SCHEMBL194111

SCHEMBL194111

FC(F)(F)Oc1ccccc1C1CCCn2nc(Br)nc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.40
PSEN2 P49810 11/20 0.40
APH1B Q8WW43 11/20 0.40
NCSTN Q92542 11/20 0.40
APH1A Q96BI3 11/20 0.40
PSENEN Q9NZ42 11/20 0.40
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 2/20 0.39
PROKR1 Q8TCW9 1/20 0.39
HCRTR2 O43614 2/20 0.35
HCAR1 Q9BXC0 1/20 0.35
HCRTR1 O43613 1/20 0.35
S1PR1 P21453 2/20 0.34
KCNH2 Q12809 2/20 0.33
CYP2C19 P33261 1/20 0.33
APP P05067 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL194734 0.82 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9226777 0.78 APP (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9225501 0.78 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22494453 0.77 APP (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL195049 0.75 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL194869 0.74 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15738596 0.73 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2251392 0.72 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9223526 0.71 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615025 0.71 PSEN1 (0.41) 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
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 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 (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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, 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.