SCHEMBL7607432

SCHEMBL7607432

N=C(N)NCCCC(N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 11/20 0.49
NPY1R P25929 6/20 0.49
NPY2R P49146 4/20 0.49
NPY5R Q15761 4/20 0.49
NOD1 Q9Y239 4/20 0.47
DPP7 Q9UHL4 1/20 0.41
OTC P00480 1/20 0.40
NRP1 O14786 1/20 0.39
C3AR1 Q16581 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38

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
SCHEMBL288598 1.00 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL31174187 1.00 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL29358630 1.00 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL288599 1.00 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL10001721 0.97 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL31264971 0.97 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL29947272 0.97 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL12533211 0.97 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL30483977 0.97 NPY4R (0.50) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL29769333 0.97 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5RNOD1

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-20220119496-A1 INHIBITORS OF CYSTEINE PEPTIDASES ISOLATED FROM NATURAL RAW MATERIALS AND USE OF THE INHIBITORS IN MEDICINE AND VETERINARY MEDICINE RAPAK, Andrzej Marek (PL) 2022-04-21 US disclosed
WO-2015171516-A1 COMPOSITIONS AND METHODS RELATING TO IONIC SALTS OF PEPTIDES THETIS PHARMACEUTICALS LLC (US) 2015-11-12 WO disclosed
CN-102317283-A Novel CC-1065 analogs and conjugates thereof SYNTARGA BV 2012-01-11 CN disclosed
US-20020168337-A1 Sustained-release preparation TAKADA CHEMICAL INDUSTRIES LTD. 2002-11-14 US disclosed
US-20020058622-A1 Sustained-release preparation IGARI YASUTAKA (JP) 2002-05-16 US disclosed
US-6376461-B1 WATER INSOLUBLE OR SLIGHTLY WATER SOLUBLE POLYVALENT METAL SALT OF A GROWTH HORMONE, AND A BIODEGRADABLE POLYMER; ENDOTHELIN ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
US-6087324-A A WATER-INSOLUBLE OR A SLIGHTLY WATER-SOLUBLE POLYVALENT METAL SALT OF A WATER-SOLUBLE PHYSIOGICALLY ACTIVE PEPTIDE WHICH IS NOT AN ENDOTHELIN ANTAGONIST, AND A BIODEGRADABLE POLYMER SUCH AS COPOLYMER OF GLYCOLIC AND LACTIC ACID TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
CN-1109780-A Sustained-release preparation of anti-endothelin substance TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-10-11 CN disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 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-20020168337-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 NPY4R 789/4885NPY1R 118/4885NPY2R 273/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 NPY4R 789/4885NPY1R 118/4885NPY2R 273/4885

“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.