SCHEMBL3459809

SCHEMBL3459809

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 16/20 0.55
NPY1R P25929 9/20 0.55
NPY2R P49146 7/20 0.55
NPY5R Q15761 6/20 0.55
FURIN P09958 1/20 0.44
PCSK6 P29122 1/20 0.44
BACE1 P56817 2/20 0.41
CTSD P07339 1/20 0.41
TFPI P10646 1/20 0.41

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
SCHEMBL3459806 1.00 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL30881172 1.00 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL30486089 0.94 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL30903441 0.94 NPY4R (0.60) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30486088 0.94 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL30068491 0.94 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL31665975 0.94 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL31643184 0.93 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30490411 0.93 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29872588 0.93 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102370985-A Purpose of agonist of natriuretic peptide receptor A in pain management SHANGHAI INST BIOL SCIENCES 2012-03-14 CN disclosed
US-20100216714-A1 NATRIURETIC COMPOUNDS, CONJUGATES, AND USES THEREOF JAMES KENNETH D 2010-08-26 US disclosed
EP-1569683-B1 MODIFIED NATRIURETIC COMPOUNDS, CONJUGATES, AND USES THEREOF BIOCON LTD (IN) 2010-03-03 EP disclosed
US-7648962-B2 which retain activity for stimulating cyclic guanosine monophosphate production and binding to natriuretic peptide receptor type A; improved bioavailability and half-life in circulation; for treatment of congestive heart failure BIOCON LIMITED (IN) 2010-01-19 US disclosed
CN-100558398-C Modified natriuretic compounds, conjugates, and uses thereof NOBEX CORP (IN) 2009-11-11 CN disclosed
US-20080207505-A1 Bna Conjugates and Methods of Use JAMES KENNETH D 2008-08-28 US disclosed
CN-101027073-A Natriuretic compounds, conjugates, and uses thereof BIOCON LTD (IN) 2007-08-29 CN disclosed
US-20060172933-A1 Natriuretic compounds, conjugates, and uses thereof BIOCON LIMITED (IN) 2006-08-03 US disclosed
WO-2006076471-A2 BNP CONJUGATES AND METHODS OF USE NOBEX CORPORATION (US) 2006-07-20 WO disclosed
US-20060074009-A1 Natriuretic compounds, conjugates, and uses thereof BIOCON LIMITED (IN) 2006-04-06 US disclosed
CN-1741814-A Modified naturetic compounds, conjugates, and uses thereof NOBEX CORP (US) 2006-03-01 CN disclosed
US-6028055-A USE IN TREATMENT OR PROPHYLAXIS OF VARIOUS PATHOLOGICAL CONDITIONS ASSOCIATED WITH WATER OR ELECTROLYTE IMBALANCE GENETECH, INC. (US) 2000-02-22 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 (4 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-20080207505-A1 Bna Conjugates and Methods of Use NPR1, NPPA, NPR3 NPY4R 75/4885NPY1R 30/4885NPY2R 33/4885
US-20100216714-A1 NATRIURETIC COMPOUNDS, CONJUGATES, AND USES THEREOF NPR1, NPPA, NPR3 NPY4R 64/4885NPY1R 28/4885NPY2R 38/4885
US-20060074009-A1 Natriuretic compounds, conjugates, and uses thereof NPR1, NPPA, NPR3 NPY4R 64/4885NPY1R 28/4885NPY2R 38/4885
US-20060172933-A1 Natriuretic compounds, conjugates, and uses thereof NPR1, NPPA, NPR3 NPY4R 64/4885NPY1R 28/4885NPY2R 38/4885

“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.