SCHEMBL12974475

SCHEMBL12974475

CCOC(=O)C[C@H](N)Cc1ccc(-c2cc(Cl)ccc2OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.53
▸ MMEL1 Q495T6 2/20 0.53
▸ TPH1 P17752 8/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CTSA P10619 4/20 0.43
▸ PDE4D Q08499 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ SLC9A1 P19634 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
SCHEMBL12975259 0.88 MMEL1 (0.47) MMEMMEL1ALDH1A1HPGD
SCHEMBL2873273 0.87 MMEL1 (0.53) MMEMMEL1TPH1CTSASLC9A1
SCHEMBL16133216 0.87 MME (0.61) MMEMMEL1TPH1ALDH1A1HPGD
SCHEMBL8550914 0.87 MME (0.52) MMEMMEL1
SCHEMBL17965425 0.86 MMEL1 (0.66) MMEMMEL1TPH1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL2873271 0.86 MMEL1 (0.52) MMEL1TPH1CTSASLC9A1
Hydrochloric Acid SCHEMBL2873276 0.86 MMEL1 (0.52) MMEL1TPH1CTSASLC9A1
Hydrochloric Acid SCHEMBL2876316 0.85 MMEL1 (0.64) MMEMMEL1TPH1ALDH1A1HPGD
SCHEMBL17335899 0.82 SLC6A4 (0.53) ALDH1A1HPGD
SCHEMBL2874769 0.80 MMEL1 (0.58) MMEMMEL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594557-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 — — EP disclosed
EP-2594556-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 — — EP 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-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 (3 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 MME 1/4885MMEL1 299/4885TPH1 442/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MME 1/4885MMEL1 299/4885TPH1 442/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MME 1/4885MMEL1 299/4885TPH1 442/4885

“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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