SCHEMBL285036

SCHEMBL285036

CN(C)C(=O)CC(CNCCN)N(CC(=O)N(C)C)CC(=O)N(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.34
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3308778 0.76 ANPEP (0.37) ANPEP
SCHEMBL3989572 0.68 CYP2C9 (0.43) CYP2C9CYP2C19
SCHEMBL28304333 0.65 TDP1 (0.46) CYP2C9CYP2C19
SCHEMBL2412348 0.63 CYP2C19 (0.52) CYP2C9CYP2C19
SCHEMBL15231954 0.62 CYP2C19 (0.50) CYP2C9CYP2C19
SCHEMBL4901538 0.61 ANPEP (0.38) ANPEPCYP2C9CYP2C19
SCHEMBL4602535 0.61 MAOA (0.48) CYP2C9CYP2C19
SCHEMBL8000651 0.61 CA12 (0.36) ANPEPCYP2C9CYP2C19
Acetamide SCHEMBL2412349 0.60 CYP2C19 (0.48) CYP2C9CYP2C19
SCHEMBL26431472 0.60 ANPEP (0.45) ANPEPCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060067881-A1 Synthesis, compositions and methods for the measurement of the concentration of stable-isotope labeled compounds in life forms and life form excretory products BIOPHYSICS ASSAY LABORATORY, INC. 2006-03-30 US claimed
EP-1399170-A2 CHELATES OF METALS WHICH CAN BE ACTIVATED BY NEUTRONS AND THEIR USE FOR THE MEASUREMENT OF LABELED SPECIMENS Biophysics Assay Laboratory, Inc. (US) 2004-03-24 EP claimed
US-20030059368-A1 Synthesis, compositions and methods for the measurement of the concentration of stable-isotope labeled compounds in life forms and life form excretory products BIOPAL, INC. 2003-03-27 US claimed
WO-2002062397-A2 CHELATES OF METALS WHICH CAN BE ACTIVATED BY NEUTRONS AND THEIR USE FOR THE MEASUREMENT OF LABELED SPECIMENS BIOPHYSICS ASSAY LABORATORY, INC. (US) 2002-08-15 WO claimed
EP-2429593-A2 BIOMOLECULE COMPLEXES AS CONTRAST AGENTS IN POSITRON EMISSION TOMOGRAPHY (PET) BASED METHODS FOR THE ASSESSMENT OF ORGAN FUNCTION Bergen Teknologioverføring AS (NO) 2012-03-21 EP disclosed
EP-2428231-A2 Biomolecule complexes as contrast agents in Positron Emission Tomography (PET) based methods for the assessment of organ function Bergen Teknologioverføring AS (NO) 2012-03-14 EP disclosed
US-20100191096-A1 PARAMAGNETIC BIOMOLECULE COMPLEXES AND USES THEREOF IN THE ASSESSMENT OF ORGAN FUNCTION BERGEN TEKNOLOGIOVERFORING AS (NO) 2010-07-29 US disclosed
WO-2010066843-A2 BIOMOLECULE COMPLEXES AS CONTRAST AGENTS IN POSITRON EMISSION TOMOGRAPHY (PET) BASED METHODS FOR THE ASSESSMENT OF ORGAN FUNCTION BERGEN TEKNOLOGIOVERFØRING AS (NO) 2010-06-17 WO disclosed
EP-2164523-A2 PARAMAGNETIC BIOMOLECULE COMPLEXES AND USES THEREOF IN THE ASSESSMENT OF ORGAN FUNCTION Bergen Teknologioverforing AS (NO) 2010-03-24 EP disclosed
WO-2008148877-A2 PARAMAGNETIC BIOMOLECULE COMPLEXES AND USES THEREOF IN THE ASSESSMENT OF ORGAN FUNCTION BERGEN TEKNOLOGIOVERFØRING AS (NO) 2008-12-11 WO disclosed
US-7048907-B2 Synthesis, compositions and methods for the measurement of the concentration of stable-isotope labeled compounds in life forms and life form excretory products BIOPHYSICS ASSAY LABORATORY, INC. (US) 2006-05-23 US disclosed
US-20060067881-A1 Synthesis, compositions and methods for the measurement of the concentration of stable-isotope labeled compounds in life forms and life form excretory products BIOPHYSICS ASSAY LABORATORY, INC. 2006-03-30 US disclosed
EP-1399170-A2 CHELATES OF METALS WHICH CAN BE ACTIVATED BY NEUTRONS AND THEIR USE FOR THE MEASUREMENT OF LABELED SPECIMENS Biophysics Assay Laboratory, Inc. (US) 2004-03-24 EP disclosed
US-20030059368-A1 Synthesis, compositions and methods for the measurement of the concentration of stable-isotope labeled compounds in life forms and life form excretory products BIOPAL, INC. 2003-03-27 US disclosed
WO-2002062397-A2 CHELATES OF METALS WHICH CAN BE ACTIVATED BY NEUTRONS AND THEIR USE FOR THE MEASUREMENT OF LABELED SPECIMENS BIOPHYSICS ASSAY LABORATORY, INC. (US) 2002-08-15 WO 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-20060067881-A1 Synthesis, compositions and methods for the measurement of the concentration of stable-isotope labeled compounds in life forms and life form excretory products ATP6V1B1, REN, GLS ANPEP 542/4885CYP2C9 661/4885CYP2C19 1029/4885

“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.