SCHEMBL1231410

SCHEMBL1231410

CCOC(=O)[C@@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.54
▸ ACE P12821 2/20 0.54
▸ MMEL1 Q495T6 3/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ APP P05067 1/20 0.47
▸ SCN9A Q15858 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.46

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
SCHEMBL12888110 1.00 MME (0.54) MMEACEMMEL1CTSSCTSK
SCHEMBL18576747 1.00 MME (0.54) MMEACEMMEL1CTSSCTSK
SCHEMBL1908521 1.00 MME (0.54) MMEACEMMEL1CTSSCTSK
SCHEMBL597498 1.00 MME (0.54) MMEACEMMEL1CTSSCTSK
SCHEMBL21572792 1.00 MME (0.54) MMEACEMMEL1CTSSCTSK
SCHEMBL1232158 1.00 MME (0.54) MMEACEMMEL1CTSSCTSK
SCHEMBL1231592 0.91 MME (0.56) MMEACEMMEL1CTSSCTSK
SCHEMBL12888104 0.91 MME (0.56) MMEACEMMEL1CTSSCTSK
SCHEMBL1231595 0.91 MME (0.56) MMEACEMMEL1CTSSCTSK
SCHEMBL1231435 0.91 MME (0.56) MMEACEMMEL1CTSSCTSK

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964616-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-05-03 — — EP disclosed
WO-2017033128-A1 BIPHENYL-SUBSTITUED 4-AMINO-BUTYRIC ACID DERIVATIVES AND THEIR USE IN THE SYNTHESIS OF NEP INHIBITORS NOVARTIS AG (CH) 2017-03-02 — — WO disclosed
WO-2017033128-A1 BIPHENYL-SUBSTITUED 4-AMINO-BUTYRIC ACID DERIVATIVES AND THEIR USE IN THE SYNTHESIS OF NEP INHIBITORS NOVARTIS AG (CH) 2017-03-02 — — WO disclosed
EP-2245009-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 5-BIPHENYL-4-YL-2-METHYLPENTANOIC ACID DERIVATIVES NOVARTIS AG (CH) 2016-08-10 — — EP disclosed
US-9403766-B2 Intermediates for producing NEP inhibitors or prodrugs thereof NOVARTIS AG (CH) 2016-08-02 — — US disclosed
US-20160060217-A1 Processes HOOK DAVID (CH) 2016-03-03 — — US disclosed
US-9227934-B2 Processes for producing NEP inhibitors or prodrugs thereof NOVARTIS AG (CH) 2016-01-05 — — US disclosed
US-20150246881-A1 Processes NOVARTIS AG (CH) 2015-09-03 — — US disclosed
US-9061973-B2 Processes for producing NEP inhibitors or prodrugs thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2015-06-23 — — US disclosed
US-8946481-B2 Process for preparing biaryl substituted 4-amino butyric acid or derivatives thereof and their use in the production of NEP inhibitors NOVARTIS AG (CH) 2015-02-03 — — US disclosed
EP-2066618-B1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO-BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2014-07-23 — — EP disclosed
US-8580974-B2 Processes NOVARTIS AG (CH) 2013-11-12 — — US disclosed
US-20130066101-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2013-03-14 — — US disclosed
US-20130066101-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2013-03-14 — — US disclosed
US-20110046397-A1 NEW PROCESSES NOVARTIS PHARMACEUTICALS CORPORATION 2011-02-24 — — US disclosed
EP-2245009-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 5-BIPHENYL-4-YL-2-METHYLPENTANOIC ACID DERIVATIVES Novartis AG (CH) 2010-11-03 — — EP disclosed
US-20090326066-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO-BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2009-12-31 — — US disclosed
US-20090326066-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO-BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2009-12-31 — — US disclosed
WO-2009090251-A2 NEW PROCESSES NOVARTIS AG (CH) 2009-07-23 — — WO disclosed
WO-2008031567-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO-BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2008-03-20 — — WO 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-20160060217-A1 Processes MME, NAT1, AGTR1 MME 1/4885ACE 6/4885MMEL1 69/4885
US-20110046397-A1 NEW PROCESSES MME, REN, AGTR1 MME 1/4885ACE 6/4885MMEL1 90/4885
US-20130066101-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS MME, REN, BCAT2 MME 1/4885ACE 5/4885MMEL1 776/4885
US-20090326066-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO-BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS MME, REN, BCAT2 MME 1/4885ACE 5/4885MMEL1 697/4885
US-20150246881-A1 Processes MME, NAT1, AGTR1 MME 1/4885ACE 6/4885MMEL1 69/4885

“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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