SCHEMBL4535364

SCHEMBL4535364

C[C@H](N)C(=O)NC1C(=O)N(C)CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XIAP P98170 6/20 1.00
PSEN1 P49768 6/20 0.69
PSEN2 P49810 6/20 0.69
APH1B Q8WW43 6/20 0.69
NCSTN Q92542 6/20 0.69
APH1A Q96BI3 6/20 0.69
PSENEN Q9NZ42 6/20 0.69
SPPL2A Q8TCT8 6/20 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
SCHEMBL15206725 1.00 XIAP (1.00) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4943515 1.00 XIAP (1.00) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL15206723 1.00 XIAP (1.00) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL15216926 1.00 XIAP (1.00) XIAPPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL4939457 0.99 XIAP (0.98) XIAPPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL4939467 0.99 XIAP (0.98) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4942961 0.95 XIAP (0.91) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL15216925 0.90 XIAP (0.82) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL7849704 0.87 XIAP (0.77) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL21577575 0.85 PSEN1 (0.81) XIAPPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
EP-2638007-A2 DRUG DERIVATIVES Redx Pharma Limited (GB) 2013-09-18 EP disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO disclosed
US-7468365-B2 Lactam compound ELI LILLY AND COMPANY (US) 2008-12-23 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 XIAP 370/4885PSEN1 4212/4885PSEN2 4067/4885
US-20070299053-A1 Lactam compound AAAS, ORMDL3, NAALAD2 XIAP 3446/4885PSEN1 739/4885PSEN2 430/4885

“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.