SCHEMBL68034

SCHEMBL68034

CN(C(=O)OC(C)(C)C)C(CC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.38
▸ AAK1 Q2M2I8 2/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL68033 1.00 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL30884895 0.88 MMP13 (0.32) MMP13MEN1GAAKMT2AHDAC6
SCHEMBL18248156 0.88 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL20586574 0.88 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL18248003 0.86 MMP13 (0.37) MMP13AAK1MEN1GAAKMT2A
SCHEMBL18248197 0.86 MMP13 (0.37) MMP13AAK1MEN1GAAKMT2A
SCHEMBL28815034 0.86 MMP13 (0.37) MMP13AAK1MEN1GAAKMT2A
SCHEMBL18248032 0.86 MMP13 (0.37) MMP13AAK1MEN1GAAKMT2A
SCHEMBL21447929 0.86 MMP13 (0.37) MMP13AAK1HDAC6HDAC1HDAC2
SCHEMBL18248055 0.86 MMP13 (0.37) MMP13AAK1MEN1GAAKMT2A

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
CN-114891070-A Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-08-12 — — CN disclosed
CN-107835818-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 — — CN disclosed
US-10793604-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2020-10-06 — — US disclosed
US-20180362589-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL INC. (US) 2018-12-20 — — US disclosed
CN-107835818-A Anthelmintic depsipeptide compounds 梅里亚股份有限公司 2018-03-23 — — CN disclosed
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 — — US disclosed
CN-102292319-A Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers — 2011-12-21 — — CN disclosed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 — — WO disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 — — US disclosed
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 — — EP disclosed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 — — WO disclosed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 — — 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S MMP13 4411/4885AAK1 1519/4885MEN1 1286/4885
US-20180362589-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP MMP13 504/4885AAK1 3412/4885MEN1 1902/4885
US-10793604-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP MMP13 504/4885AAK1 3412/4885MEN1 1902/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S MMP13 4411/4885AAK1 1519/4885MEN1 1286/4885

“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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