SCHEMBL4941575

SCHEMBL4941575

CC(=O)OC(C)C.CN1CCc2ccccc2C(N)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.54
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
ACE P12821 1/20 0.39
MTNR1B P49286 1/20 0.38
NOTUM Q6P988 1/20 0.38
DRD2 P14416 1/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 2/20 0.36
ANPEP P15144 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 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
SCHEMBL4122465 0.84 XIAP (0.54) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4122057 0.84 XIAP (0.54) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4126331 0.84 XIAP (0.54) XIAPPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL4114257 0.83 XIAP (0.53) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4423615 0.81 XIAP (0.52) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4941582 0.76 XIAP (0.44) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4941581 0.72 OPRM1 (0.44) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4705630 0.71 XIAP (0.56) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4989954 0.70 ANPEP (0.50) XIAPANPEPCYP2D6TSHR
SCHEMBL4943515 0.70 XIAP (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.