SCHEMBL6127791

SCHEMBL6127791

COc1cc(C)ccc1-n1cnc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.54
PSEN2 P49810 20/20 0.54
APH1B Q8WW43 20/20 0.54
NCSTN Q92542 20/20 0.54
APH1A Q96BI3 20/20 0.54
PSENEN Q9NZ42 20/20 0.54
KCNH2 Q12809 2/20 0.51

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
SCHEMBL7923905 0.84 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1237313 0.84 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7827197 0.84 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15062288 0.84 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL297411 0.84 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7819827 0.84 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15943562 0.84 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL511511 0.84 NR4A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL16402312 0.83 NR4A1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL2480936 0.83 NR4A1 (0.53) 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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598437-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2017-03-21 US disclosed
US-20160304534-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
US-9096582-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP (US) 2015-08-04 US disclosed
WO-2015084752-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. (US) 2015-06-11 WO disclosed
WO-2015066697-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-05-07 WO disclosed
US-20140296311-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8759337-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8580956-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-11-12 US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-20090270623-A1 PROCESS FOR PRODUCTION OF CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270623-A1 PROCESS FOR PRODUCTION OF CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
WO-2009108766-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER ' S DISEASE SCHERING CORPORATION (US) 2009-09-03 WO disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
WO-2009076337-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-18 WO disclosed
WO-2008153792-A2 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2008-12-18 WO disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (6 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-20160304534-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 9/4885
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 PSEN1 3/4885PSEN2 6/4885APH1B 11/4885
US-20090270623-A1 PROCESS FOR PRODUCTION OF CINNAMIDE DERIVATIVE CBR1, H1-0, CBR3 PSEN1 4651/4885PSEN2 4686/4885APH1B 3878/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 PSEN1 3275/4885PSEN2 3796/4885APH1B 2344/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 PSEN1 3/4885PSEN2 6/4885APH1B 11/4885
US-20140296311-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 5/4885APH1B 9/4885

“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.