SCHEMBL2870076

SCHEMBL2870076

O=C(O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc2[nH]nnc2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 7/20 0.59
▸ MME P08473 12/20 0.56
▸ PIN1 Q13526 1/20 0.48
▸ ROCK2 O75116 1/20 0.45
▸ RPS6KA5 O75582 1/20 0.45
▸ RPS6KA4 O75676 1/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ IRAK1 P51617 1/20 0.45
▸ PRKX P51817 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ PRKG1 Q13976 1/20 0.45
▸ PKN2 Q16513 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ SGK2 Q9HBY8 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
SCHEMBL12975370 0.88 MME (0.50) MMEL1MMEROCK2ROCK1
SCHEMBL9930131 0.87 MME (0.74) MME
SCHEMBL9930129 0.87 MME (0.74) MME
SCHEMBL12317293 0.86 MME (0.64) MMEL1MME
SCHEMBL2873184 0.80 MMEL1 (0.60) MMEL1MMEPIN1
SCHEMBL16132547 0.79 MMEL1 (0.58) MMEL1MMEPIN1ROCK2RPS6KA5
SCHEMBL1248912 0.78 PIN1 (0.51) PIN1ROCK2MAPK1ROCK1
SCHEMBL2876099 0.76 MMEL1 (0.65) MMEL1MME
SCHEMBL2876097 0.76 MMEL1 (0.65) MMEL1MME
SCHEMBL14120610 0.75 CASP6 (0.44) MMEL1PIN1ROCK2MAPK1

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
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-2594556-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
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-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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 — — 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 (2 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 1/4885PIN1 1265/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MMEL1 299/4885MME 1/4885PIN1 1265/4885

“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.

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