SCHEMBL428115

SCHEMBL428115

CCOC(=O)C1(C(N)=O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.39
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H2 P55055 2/20 0.36
GAA P10253 1/20 0.36
TLR8 Q9NR97 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
EPHX2 P34913 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.32
RORC P51449 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL426525 0.91 SMN1; SMN2 (0.41) ADORA1USP2SMN1; SMN2NR1H2MEN1
SCHEMBL13957491 0.90 ADORA1 (0.39) ADORA1USP2SMN1; SMN2NR1H2GAA
SCHEMBL425879 0.87 USP2 (0.38) ADORA1USP2SMN1; SMN2NR1H2MEN1
SCHEMBL15958599 0.86 USP2 (0.42) ADORA1USP2SMN1; SMN2GAAALDH1A1
SCHEMBL24940831 0.82 USP2 (0.41) ADORA1USP2SMN1; SMN2NR1H2TSHR
SCHEMBL2793182 0.82 ADORA1 (0.40) ADORA1USP2SMN1; SMN2NR1H2GAA
SCHEMBL13958037 0.80 USP2 (0.42) ADORA1USP2SMN1; SMN2NR1H2EPHX2
SCHEMBL22233140 0.79 ADORA1 (0.39) ADORA1USP2SMN1; SMN2NR1H2GAA
SCHEMBL24940829 0.79 USP2 (0.38) ADORA1USP2SMN1; SMN2TSHRALOX15
SCHEMBL25245654 0.79 SMN1; SMN2 (0.42) ADORA1USP2SMN1; SMN2NR1H2GAA

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
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-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-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
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP 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
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
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 ADORA1 3248/4885USP2 1176/4885SMN1; SMN2 3099/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ADORA1 3248/4885USP2 1176/4885SMN1; SMN2 3099/4885

“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.