SCHEMBL757546

SCHEMBL757546

COc1cc(C#N)ccc1-n1cnc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.55
PSEN2 P49810 20/20 0.55
APH1B Q8WW43 20/20 0.55
NCSTN Q92542 20/20 0.55
APH1A Q96BI3 20/20 0.55
PSENEN Q9NZ42 20/20 0.55
KCNH2 Q12809 1/20 0.47

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
SCHEMBL3045214 0.86 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29940809 0.82 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28908421 0.82 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6127791 0.81 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1240246 0.81 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8817926 0.80 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1457885 0.80 USP30 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12712335 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL297411 0.78 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL511511 0.78 NR4A1 (0.54) 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
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 WO disclosed
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 WO disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 US disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 US disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
WO-2011037244-A1 NOVEL BENZONITRILE COMPOUNDS AND METHOD FOR PREPARING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-31 WO disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 7/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PSEN1 5/4885PSEN2 10/4885APH1B 4/4885
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC PSEN1 4/4885PSEN2 1/4885APH1B 551/4885

“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.