SCHEMBL4126331

SCHEMBL4126331

CN1CCc2ccccc2[C@H](N)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.54
ANPEP P15144 2/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
PRCP P42785 1/20 0.45
HTR2A P28223 2/20 0.44
SRD5A1 P18405 2/20 0.41
BRD4 O60885 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
HTR7 P34969 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
CHRNA7 P36544 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL4122057 1.00 XIAP (0.54) XIAPANPEPPSEN1PSEN2APH1B
SCHEMBL4122465 1.00 XIAP (0.54) XIAPANPEPPSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL4114257 0.98 XIAP (0.53) XIAPANPEPPSEN1PSEN2APH1B
SCHEMBL4941575 0.84 XIAP (0.54) XIAPANPEPPSEN1PSEN2APH1B
SCHEMBL4989954 0.83 ANPEP (0.50) XIAPANPEPHTR2ASRD5A1BRD4
SCHEMBL4423615 0.83 XIAP (0.52) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL14115515 0.81 BRD4 (0.55) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL13502658 0.81 BRD4 (0.55) XIAPPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL22612124 0.81 ANPEP (0.51) XIAPANPEPHTR2ASRD5A1BRD4
Hydrochloric Acid SCHEMBL30630763 0.81 ANPEP (0.51) XIAPANPEPHTR2ASRD5A1BRD4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258302-B2 Method for producing benzazepinone API CORPORATION (JP) 2012-09-04 US disclosed
US-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE API CORPORATION (JP) 2009-07-02 US disclosed
EP-1711470-B1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7468365-B2 Lactam compound ELI LILLY AND COMPANY (US) 2008-12-23 US disclosed
US-7468365-B2 Lactam compound ELI LILLY AND COMPANY (US) 2008-12-23 US disclosed
US-7468365-B2 Lactam compound ELI LILLY AND COMPANY (US) 2008-12-23 US disclosed
EP-1985615-A1 METHOD FOR PRODUCING BENZAZEPINONE API Corporation (JP) 2008-10-29 EP disclosed
EP-1345955-B1 LACTAM DIPEPTIDE AND ITS USE IN INHIBITING BETA-AMYLOID PEPTIDE RELEASE LILLY CO ELI (US) 2008-08-20 EP disclosed
US-20070299053-A1 Lactam compound ELI LILLY AND COMPANY 2007-12-27 US disclosed
US-20070299053-A1 Lactam compound ELI LILLY AND COMPANY 2007-12-27 US disclosed
US-20070299053-A1 Lactam compound ELI LILLY AND COMPANY 2007-12-27 US disclosed
EP-1353910-B1 LACTAM COMPOUND LILLY CO ELI (US) 2007-05-23 EP disclosed
EP-1341531-B1 LACTAM COMPOUND TO INHIBIT BETA-AMYLOID PEPTIDE RELEASE OR SYNTHESIS LILLY CO ELI (US) 2007-01-17 EP disclosed
US-7160875-B2 Malonamide derivatives HOFFMANN-LA RACHE INC. (US) 2007-01-09 US disclosed
EP-1711470-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2006-10-18 EP disclosed
WO-2005023772-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
US-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. 2005-03-10 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 (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-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE NISCH, GABBR1, GABBR2 XIAP 4075/4885ANPEP 709/4885PSEN1 1522/4885
US-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease BACE1, BACE2, APP XIAP 3379/4885ANPEP 31/4885PSEN1 6/4885
US-20070299053-A1 Lactam compound AAAS, ORMDL3, NAALAD2 XIAP 3446/4885ANPEP 104/4885PSEN1 739/4885

“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.