SCHEMBL10197861

SCHEMBL10197861

CCOC(=O)C[C@@H](Cc1ccc(-c2cc(F)ccc2OC)cc1)NC(=O)c1cc(O)no1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 5/20 0.57
TPH1 P17752 4/20 0.44
NR3C1 P04150 3/20 0.43
PGR P06401 3/20 0.43
MME P08473 6/20 0.42
MAPT P10636 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37

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
SCHEMBL2873785 0.90 MMEL1 (0.70) MMEL1TPH1NR3C1PGRMME
SCHEMBL2880694 0.90 MMEL1 (0.70) MMEL1TPH1NR3C1PGRMME
SCHEMBL12317530 0.89 MMEL1 (0.52) MMEL1TPH1NR3C1PGRMME
SCHEMBL12317532 0.89 MMEL1 (0.52) MMEL1TPH1NR3C1PGRMME
SCHEMBL15943053 0.88 MMEL1 (0.61) MMEL1TPH1NR3C1PGRMME
SCHEMBL12939810 0.86 MMEL1 (0.53) MMEL1TPH1NR3C1PGRMME
SCHEMBL12939811 0.86 MMEL1 (0.53) MMEL1TPH1NR3C1PGRMME
SCHEMBL10197757 0.85 MMEL1 (0.57) MMEL1TPH1NR3C1PGRMME
SCHEMBL2866175 0.84 MME (0.48) MMEL1MME
SCHEMBL2866180 0.84 MME (0.48) MMEL1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640375-B1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2016-05-18 EP disclosed
US-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 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
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2014-11-13 US disclosed
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS COPPOLA GARY MARK (US) 2014-10-02 US disclosed
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS COPPOLA GARY MARK (US) 2014-10-02 US disclosed
US-8822534-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822534-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2435409-B1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2014-08-13 EP disclosed
EP-2594557-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 EP disclosed
EP-2594556-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 EP disclosed
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
US-8394853-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2013-03-12 US disclosed
US-8394853-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2013-03-12 US disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20100305131-A1 Substituted Aminopropionic 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 (5 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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN MMEL1 299/4885TPH1 442/4885NR3C1 1629/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MMEL1 299/4885TPH1 442/4885NR3C1 1629/4885
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME MMEL1 118/4885TPH1 1912/4885NR3C1 3845/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME MMEL1 118/4885TPH1 1912/4885NR3C1 3845/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MMEL1 299/4885TPH1 442/4885NR3C1 1629/4885

“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.