SCHEMBL7782787

SCHEMBL7782787

CC(C)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 10/20 0.41
NPY1R P25929 6/20 0.41
NPY2R P49146 4/20 0.38
NPY5R Q15761 4/20 0.38
DPP7 Q9UHL4 1/20 0.38
OTC P00480 1/20 0.35
ANPEP P15144 2/20 0.34
RNPEP Q9H4A4 2/20 0.34
ALOX15 P16050 2/20 0.34
DNPEP Q9ULA0 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7782784 1.00 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL5635045 0.91 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL17371757 0.89 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL23408857 0.87 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL6155572 0.87 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL15459530 0.87 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL42488 0.85 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL2172217 0.85 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL157856 0.85 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL8627066 0.84 NPY4R (0.36) NPY4RNPY1RNPY2RNPY5RDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018044840-A1 SYNERGISTIC CATIONIC SURFACTANTS RESULTING IN MICROBIAL INHIBITION ON FOOD SURFACES AND HARD SURFACES CRYOVAC, INC. (US) 2018-03-08 WO claimed
WO-2018044840-A1 SYNERGISTIC CATIONIC SURFACTANTS RESULTING IN MICROBIAL INHIBITION ON FOOD SURFACES AND HARD SURFACES CRYOVAC, INC. (US) 2018-03-08 WO disclosed
US-20160030318-A1 HIGHLY BIOAVAILABLE Na-ACYL ACIDIC AMINO ACID ESTER SALT COMPOSITONS WITH ZWITTERIONIC SURFACTANTS JOHNSON & JOHNSON CONSUMER INC. 2016-02-04 US disclosed
US-20160030317-A1 HIGHLY BIOAVAILABLE Na-ACYL ACIDIC AMINO ACID ESTER SALT COMPOSITONS WITH ZWITTERIONIC SURFACTANTS JOHNSON & JOHNSON CONSUMER INC. 2016-02-04 US disclosed
CN-101415641-B Modified clay mineral AJINOMOTO CO.,INC. (JP) 2012-02-08 CN disclosed
CN-101415641-A Modified clay mineral AJINOMOTO KK (JP) 2009-04-22 CN disclosed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed
WO-1999029289-A1 STABILIZED ORAL COMPOSITIONS CONTAINING (N ALPHA-ACYL-L-ARGININE) ALKYL ESTER SALTS WARNER-LAMBERT COMPANY (US) 1999-06-17 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 (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-20160030318-A1 HIGHLY BIOAVAILABLE Na-ACYL ACIDIC AMINO ACID ESTER SALT COMPOSITONS WITH ZWITTERIONIC SURFACTANTS SLC7A1, SLC6A15, SLC38A7 NPY4R 1261/4885NPY1R 504/4885NPY2R 1103/4885
US-20160030317-A1 HIGHLY BIOAVAILABLE Na-ACYL ACIDIC AMINO ACID ESTER SALT COMPOSITONS WITH ZWITTERIONIC SURFACTANTS SLC7A1, SLC6A15, SLC38A7 NPY4R 1261/4885NPY1R 504/4885NPY2R 1103/4885

“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.