SCHEMBL1908990

SCHEMBL1908990

CCOC(=O)C1(C2(N)CC2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
NR1H2 P55055 1/20 0.35
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
DPP4 P27487 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
RECQL P46063 1/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX15 P16050 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
SCHEMBL2793182 0.82 ADORA1 (0.40) ADORA1SMN1; SMN2USP2NR1H2GAA
SCHEMBL1908991 0.81 USP2 (0.36) SMN1; SMN2USP2NR1H2HPGDALDH1A1
SCHEMBL426525 0.79 SMN1; SMN2 (0.41) ADORA1SMN1; SMN2USP2NR1H2HPGD
SCHEMBL1909264 0.79 ALOX15 (0.34) ADORA1SMN1; SMN2USP2NR1H2GAA
SCHEMBL13957491 0.78 ADORA1 (0.39) ADORA1SMN1; SMN2USP2NR1H2GAA
SCHEMBL22233140 0.77 ADORA1 (0.39) ADORA1SMN1; SMN2USP2NR1H2GAA
SCHEMBL606911 0.77 SMN1; SMN2 (0.44) ADORA1SMN1; SMN2USP2GAAHPGD
SCHEMBL428115 0.77 ADORA1 (0.39) ADORA1SMN1; SMN2USP2NR1H2GAA
SCHEMBL25245654 0.77 SMN1; SMN2 (0.42) ADORA1SMN1; SMN2USP2NR1H2GAA
SCHEMBL23390397 0.77 USP2 (0.39) ADORA1SMN1; SMN2USP2NR1H2HPGD

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 ADORA1 3248/4885SMN1; SMN2 3099/4885USP2 1176/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ADORA1 3248/4885SMN1; SMN2 3099/4885USP2 1176/4885

“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.