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SCHEMBL1909264

SCHEMBL1909264

CCOC(=O)CC(=O)NC1(C2(C(=O)OCC)CN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NR1H2 P55055 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL426175 0.90 GPR119 (0.32) ALOX15L3MBTL1ADORA1JAK2JAK1
SCHEMBL426373 0.79 GAA (0.44) ALOX15L3MBTL1MGAMGAASI
SCHEMBL1908990 0.79 ADORA1 (0.40) ALOX15L3MBTL1ADORA1GAAUSP2
SCHEMBL21886657 0.78 ALOX15 (0.37) ALOX15L3MBTL1ADORA1EPHX2MGAM
SCHEMBL1909089 0.76 CNR2 (0.37) ALOX15L3MBTL1ADORA1EPHX2MGAM
SCHEMBL13957859 0.75 GAA (0.39) ALOX15EPHX2MGAMGAASI
SCHEMBL426418 0.74 CNR2 (0.37) ALOX15L3MBTL1ADORA1EPHX2MGAM
SCHEMBL428360 0.73 ALOX15 (0.35) ALOX15L3MBTL1ADORA1MGAMGAA
SCHEMBL2793182 0.73 ADORA1 (0.40) ALOX15L3MBTL1ADORA1EPHX2GAA
SCHEMBL426525 0.72 SMN1; SMN2 (0.41) ADORA1EPHX2USP2SMN1; SMN2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 — — US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 — — US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — 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 (2 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ALOX15 3422/4885L3MBTL1 3821/4885ADORA1 3248/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ALOX15 3422/4885L3MBTL1 3821/4885ADORA1 3248/4885

“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.