SCHEMBL3617574

SCHEMBL3617574

CC(C)(C)OC(=O)NN(CCCC1CCCCC1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.45
▸ ADAMTS4 O75173 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MGLL Q99685 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL4971085 0.77 L3MBTL1 (0.41) NAAAADAMTS4ADAMTS5GAAMEN1
SCHEMBL4971079 0.77 L3MBTL1 (0.41) NAAAADAMTS4ADAMTS5GAAMEN1
SCHEMBL7329621 0.74 GAA (0.52) GAAMGLLMAPTALDH1A1SMN1; SMN2
SCHEMBL1864730 0.74 MGLL (0.44) NAAAADAMTS4ADAMTS5GAAMEN1
SCHEMBL1864733 0.74 MGLL (0.44) NAAAADAMTS4ADAMTS5GAAMEN1
SCHEMBL3404977 0.72 MGLL (0.51) GAAKMT2AMGLLMAPTALDH1A1
SCHEMBL29369577 0.72 GAA (0.58) ADAMTS4ADAMTS5GAAMEN1KMT2A
SCHEMBL2993617 0.71 L3MBTL1 (0.41) NAAAADAMTS4ADAMTS5GAAMEN1
SCHEMBL3599925 0.71 KDM5A (0.42) NAAAGAAKMT2AALDH1A1CACNA1B
SCHEMBL7903988 0.70 HTR2A (0.44) NAAAGAAMEN1KMT2AMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 — — US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 — — EP disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 — — US disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 — — EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 — — 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 (1 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 NAAA 191/4885ADAMTS4 63/4885ADAMTS5 34/4885

“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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