SCHEMBL1239907

SCHEMBL1239907

Cc1cn(-c2ccc(Br)cc2C#N)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.42
PSEN2 P49810 8/20 0.42
APH1B Q8WW43 8/20 0.42
NCSTN Q92542 8/20 0.42
APH1A Q96BI3 8/20 0.42
PSENEN Q9NZ42 8/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.39
DRD4 P21917 2/20 0.37
KCNH2 Q12809 1/20 0.37
GAA P10253 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL2828723 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12913758 0.83 HCAR1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2822671 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29637047 0.82 KDM4E (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1038927 0.82 KDM4E (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2824888 0.82 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2825198 0.82 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877679 0.82 SLC1A5 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21195189 0.82 SLC1A5 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21195176 0.80 KDM4E (0.37) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
CN-102762561-A Gamma secretase modulaters HOFFMANN LA ROCHE 2012-10-31 CN disclosed
US-8288403-B2 Heterocyclic gamma secretase modulators HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
CN-102209537-A Heterocyclic gamma secretase modulators HOFFMANN LA ROCHE 2011-10-05 CN disclosed
CN-101287738-B Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE 2011-08-10 CN disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 US disclosed
US-20110086860-A1 COMPOUND KIMURA TEIJI 2011-04-14 US disclosed
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed
US-7507729-B2 for the treatment of cognitive disorders, anxiety, schizophrenia, and Alzheimer's disease; ligands; GABA A alpha 5 receptor inhibitors; 3-bromo-10-chloro-6-(2-oxo-pyrrolidin-1-ylmethyl)-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
CN-101287738-A Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2008-10-15 CN disclosed
US-7432256-B2 Substitued imidazo [1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US disclosed
EP-1828194-B1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS HOFFMANN LA ROCHE (CH) 2008-05-28 EP disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
CN-101115756-A Tetracyclic imidazo-benzodiazepines * as GABA receptor modulators HOFFMANN LA ROCHE (CH) 2008-01-30 CN disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2006-06-15 US disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 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 (7 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-20110086860-A1 COMPOUND ARRB1, NR3C2, ADRA2C PSEN1 3654/4885PSEN2 3277/4885APH1B 2478/4885
US-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA3, GABRA5, GABRA1 PSEN1 233/4885PSEN2 391/4885APH1B 2113/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 PSEN1 3275/4885PSEN2 3796/4885APH1B 2344/4885
US-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B PSEN1 6/4885PSEN2 8/4885APH1B 3/4885
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 PSEN1 82/4885PSEN2 139/4885APH1B 1187/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PSEN1 2/4885PSEN2 7/4885APH1B 4/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 PSEN1 1/4885PSEN2 4/4885APH1B 11/4885

“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.