SCHEMBL10197757

SCHEMBL10197757

CCOC(=O)C[C@@H](Cc1ccc(-c2cc(F)ccc2OC)cc1)NC(=O)c1cnco1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 5/20 0.57
MME P08473 5/20 0.42
ACACB O00763 1/20 0.41
CTSA P10619 4/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TPH1 P17752 2/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL2875451 0.90 MMEL1 (0.70) MMEL1MMECTSAFFAR4ITGB1
SCHEMBL2876185 0.90 MMEL1 (0.70) MMEL1MMECTSAFFAR4ITGB1
SCHEMBL12975391 0.85 MMEL1 (0.57) MMEL1MMECTSANR3C1PGR
SCHEMBL10197861 0.85 MMEL1 (0.57) MMEL1MMENR3C1PGRTPH1
SCHEMBL2873229 0.83 MMEL1 (0.58) MMEL1MME
SCHEMBL2873228 0.83 MMEL1 (0.58) MMEL1MME
SCHEMBL16133215 0.83 MMEL1 (0.60) MMEL1MMECTSANR3C1PGR
SCHEMBL15947126 0.82 MMEL1 (0.60) MMEL1MMECTSANR3C1PGR
SCHEMBL15947127 0.81 MMEL1 (0.57) MMEL1MMECTSANR3C1PGR
SCHEMBL10197762 0.81 MMEL1 (0.54) MMEL1MMEFFAR4ITGB1ITGA4

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
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-2594556-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 EP disclosed
EP-2594557-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-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 299/4885MME 1/4885ACACB 2741/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MMEL1 299/4885MME 1/4885ACACB 2741/4885
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME MMEL1 118/4885MME 3/4885ACACB 3606/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME MMEL1 118/4885MME 3/4885ACACB 3606/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MMEL1 299/4885MME 1/4885ACACB 2741/4885

“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.