SCHEMBL2707345

SCHEMBL2707345

COC(=O)[C@@H]1CCCN1CC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.58
LTA4H P09960 2/20 0.56
FKBP1A P62942 7/20 0.54
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
PREP P48147 1/20 0.47
CTRB1 P17538 1/20 0.46
ACE P12821 1/20 0.45

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
SCHEMBL934366 1.00 MMEL1 (0.58) MMEL1LTA4HFKBP1AALDH1A1CYP3A4
SCHEMBL10881324 0.90 MMEL1 (0.60) MMEL1LTA4HFKBP1APOLBNPSR1
SCHEMBL20993944 0.89 MMEL1 (0.65) MMEL1FKBP1AALDH1A1CYP3A4TSHR
SCHEMBL14836855 0.87 MMEL1 (0.52) MMEL1FKBP1AALDH1A1PREPCTRB1
SCHEMBL3912914 0.86 POLB (0.62) MMEL1FKBP1AALDH1A1TSHRPOLB
SCHEMBL20966406 0.85 MMEL1 (0.53) MMEL1FKBP1ANPSR1PREPCTRB1
SCHEMBL24705627 0.85 SPHK1 (0.50) MMEL1FKBP1AALDH1A1PREPCTRB1
SCHEMBL20966402 0.85 SPHK1 (0.58) MMEL1FKBP1AALDH1A1TSHRPOLB
SCHEMBL18626013 0.85 SPHK1 (0.50) MMEL1FKBP1AALDH1A1PREPCTRB1
SCHEMBL18734805 0.84 SMN1; SMN2 (0.51) MMEL1FKBP1AALDH1A1POLBACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399287-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed
EP-3048100-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2016-07-27 EP disclosed
EP-2640375-B1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2016-05-18 EP disclosed
EP-2435402-B1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2016-04-13 EP disclosed
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2015-06-25 US disclosed
US-9006249-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2015-04-14 US disclosed
US-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2014-11-13 US disclosed
EP-2640375-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY Novartis AG (CH) 2013-09-25 EP disclosed
US-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2012-10-04 US disclosed
US-8263629-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2012-09-11 US disclosed
WO-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
EP-2435402-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2012-04-04 EP disclosed
WO-2010136474-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 WO disclosed
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2010-12-02 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 (6 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-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE MMEL1 427/4885LTA4H 2258/4885FKBP1A 1244/4885
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, GABRB1, GABRE MMEL1 427/4885LTA4H 2258/4885FKBP1A 1244/4885
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE MMEL1 427/4885LTA4H 2258/4885FKBP1A 1244/4885
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME MMEL1 118/4885LTA4H 737/4885FKBP1A 3679/4885
US-20230399287-A1 NOVEL COMPOUNDS CNKSR1, RORC, HLA-DRB1 MMEL1 1848/4885LTA4H 180/4885FKBP1A 1346/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME MMEL1 118/4885LTA4H 737/4885FKBP1A 3679/4885

“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.