SCHEMBL254304

SCHEMBL254304

C=C(OCC)c1ccc(-n2cnc(C)c2)c(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.41
PSEN2 P49810 20/20 0.41
APH1B Q8WW43 20/20 0.41
NCSTN Q92542 20/20 0.41
APH1A Q96BI3 20/20 0.41
PSENEN Q9NZ42 20/20 0.41
CYP3A4 P08684 4/20 0.40
KCNH2 Q12809 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2464477 0.85 CYP1A2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18527107 0.85 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL18527101 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL18527218 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18552898 0.82 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7914537 0.81 CYP11B1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL194790 0.80 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL194967 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1672369 0.79 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9224077 0.79 MEN1 (0.51) 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117884-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2021-09-14 US disclosed
US-11117884-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2021-09-14 US disclosed
CN-107406423-B Potent gamma-secretase modulators 通用医疗公司 2020-06-16 CN disclosed
US-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 US disclosed
US-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 US disclosed
US-10472346-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2019-11-12 US disclosed
US-10472346-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2019-11-12 US disclosed
EP-2585455-B1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS UNIV CALIFORNIA (US) 2019-08-07 EP disclosed
EP-2585455-B1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS UNIV CALIFORNIA (US) 2019-08-07 EP disclosed
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION 2018-04-05 US 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
EP-2585455-A2 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS The Regents of The University of California (US) 2013-05-01 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-2011163636-A2 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-29 WO disclosed
WO-2011163636-A2 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-29 WO disclosed
WO-2010098488-A1 ARYL IMIDAZOLE COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO 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 (5 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-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, GSAP PSEN1 6/4885PSEN2 8/4885APH1B 7/4885
US-10472346-B2 Potent gamma-secretase modulators BACE1, BACE2, APP PSEN1 4/4885PSEN2 7/4885APH1B 8/4885
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
US-11117884-B2 Potent gamma-secretase modulators BACE1, BACE2, GSAP PSEN1 6/4885PSEN2 8/4885APH1B 7/4885
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP PSEN1 4/4885PSEN2 7/4885APH1B 8/4885

“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.