SCHEMBL6436667

SCHEMBL6436667

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.45
NPY1R P25929 9/20 0.45
NPY5R Q15761 8/20 0.45
NPY2R P49146 5/20 0.45
ANPEP P15144 3/20 0.38
RNPEP Q9H4A4 2/20 0.38
DNPEP Q9ULA0 2/20 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
SCHEMBL11012210 1.00 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RANPEP
SCHEMBL4087611 1.00 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RANPEP
SCHEMBL28719983 1.00 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RANPEP
SCHEMBL16497315 0.94 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL11593401 0.92 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL11593408 0.92 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL11783082 0.90 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL11783099 0.90 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16468686 0.89 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2R
SCHEMBL2183420 0.88 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438363-B Liquid-phase high-purity large-scale synthesis method of cyclic (leucyl-arginyl) dipeptide salt 陕西慧康生物科技有限责任公司 2022-04-29 CN claimed
CN-109438363-A A kind of liquid phase high-purity scale synthetic method of ring (leucyl-arginyl) dipeptides salt 陕西慧康生物科技有限责任公司 2019-03-08 CN claimed
US-4505852-A 7-Amino-4-trifluoromethylquinolone derived substrates and method for determining enzymes and inhibitors ENZYME SYSTEMS PRODUCTS (US) 1985-03-19 US claimed
CN-109438363-B Liquid-phase high-purity large-scale synthesis method of cyclic (leucyl-arginyl) dipeptide salt 陕西慧康生物科技有限责任公司 2022-04-29 CN disclosed
CN-109438363-B Liquid-phase high-purity large-scale synthesis method of cyclic (leucyl-arginyl) dipeptide salt 陕西慧康生物科技有限责任公司 2022-04-29 CN disclosed
CN-109438363-B Liquid-phase high-purity large-scale synthesis method of cyclic (leucyl-arginyl) dipeptide salt 陕西慧康生物科技有限责任公司 2022-04-29 CN disclosed
CN-113754718-A Liquid phase synthesis method of tripeptide leucyl-arginyl-tryptophan 湖北泓肽生物科技有限公司 2021-12-07 CN disclosed
CN-109438363-A A kind of liquid phase high-purity scale synthetic method of ring (leucyl-arginyl) dipeptides salt 陕西慧康生物科技有限责任公司 2019-03-08 CN disclosed
CN-109438363-A A kind of liquid phase high-purity scale synthetic method of ring (leucyl-arginyl) dipeptides salt 陕西慧康生物科技有限责任公司 2019-03-08 CN disclosed
CN-109438363-A A kind of liquid phase high-purity scale synthetic method of ring (leucyl-arginyl) dipeptides salt 陕西慧康生物科技有限责任公司 2019-03-08 CN disclosed
US-20050037090-A1 Combination therapy including a cyclooxygenase-2 inhibitor and an antineoplastic agent MCKEARN JOHN P (US) 2005-02-17 US disclosed
US-4505852-A 7-Amino-4-trifluoromethylquinolone derived substrates and method for determining enzymes and inhibitors ENZYME SYSTEMS PRODUCTS (US) 1985-03-19 US disclosed
US-4111923-A LUTEINIZING HORMONE RELEASING FACTOR ANTAGONISTS PARKE, DAVIS & COMPANY (US) 1978-09-05 US 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-20050037090-A1 Combination therapy including a cyclooxygenase-2 inhibitor and an antineoplastic agent PTGS2, PTGES2, PTGS1 NPY4R 3453/4885NPY1R 2901/4885NPY5R 2299/4885

“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.