SCHEMBL16930636

SCHEMBL16930636

CCOC(=O)[C@H](COC)C[C@H](N)Cc1ccc(-c2cccc(Br)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.45
▸ CACNA1F O60840 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ CACNA1D Q01668 1/20 0.37
▸ CACNA1S Q13698 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ MMEL1 Q495T6 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ TPH1 P17752 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL16930474 0.88 MME (0.46) MMEMEN1NPC1KMT2APPARG
SCHEMBL16930432 0.88 MMEL1 (0.46) MMEMMEL1
SCHEMBL20099581 0.86 MME (0.37) MMEPPARGPPARAHDAC1HDAC6
SCHEMBL18874737 0.79 MME (0.49) MMEMEN1NPC1KMT2APPARG
SCHEMBL20099583 0.79 MMEL1 (0.46) MMEMMEL1
SCHEMBL16930558 0.79 MMEL1 (0.46) MMEMMEL1
SCHEMBL16930437 0.79 MME (0.48) MMEMEN1NPC1KMT2APPARG
SCHEMBL16930426 0.78 MME (0.59) MMEMEN1NPC1KMT2APPARG
SCHEMBL11969564 0.77 MME (0.69) MMEMMEL1TPH1PPARG
SCHEMBL16939264 0.77 MME (0.69) MMEMMEL1TPH1PPARG

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-3099678-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-12-12 — — EP disclosed
US-10005740-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-26 — — US disclosed
US-10005740-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-26 — — US disclosed
US-20180118696-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-03 — — US disclosed
US-9783507-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-10-10 — — US disclosed
US-9783507-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-10-10 — — US disclosed
US-9783507-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-10-10 — — US disclosed
US-20170137388-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-05-18 — — US disclosed
US-20170137388-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-05-18 — — US disclosed
US-20170137388-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-05-18 — — US disclosed
US-9593110-B2 Neprilysin inhibitors Theravence Biopharma R&D IP, LLC (US) 2017-03-14 — — US disclosed
US-9593110-B2 Neprilysin inhibitors Theravence Biopharma R&D IP, LLC (US) 2017-03-14 — — US disclosed
US-9593110-B2 Neprilysin inhibitors Theravence Biopharma R&D IP, LLC (US) 2017-03-14 — — US disclosed
WO-2015116786-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-08-06 — — WO disclosed
US-20150210690-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-30 — — US disclosed
US-20150210690-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-30 — — US disclosed
US-20150210690-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-30 — — 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 (4 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-10005740-B2 Neprilysin inhibitors MME, REN, AGTR1 MME 1/4885CACNA1F 1753/4885ABCB1 1368/4885
US-20180118696-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 MME 1/4885CACNA1F 1753/4885ABCB1 1368/4885
US-20150210690-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 MME 1/4885CACNA1F 1753/4885ABCB1 1368/4885
US-20170137388-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 MME 1/4885CACNA1F 1753/4885ABCB1 1368/4885

“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.

Send feedback