SCHEMBL426520

SCHEMBL426520

CC(C)(C)OC(=O)N1C(=O)CC(=O)CC12CCC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CTSK P43235 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 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
SCHEMBL1401215 0.88 BUB1 (0.37) BUB1CHRM2CHRM1CHRM3GRIN2B
SCHEMBL3376811 0.83 BUB1 (0.39) BUB1CHRM2CHRM1CHRM3GRIN2B
SCHEMBL33525787 0.80 CHRM2 (0.35) BUB1CHRM2CHRM1CHRM3GRIN2B
SCHEMBL26915659 0.76 GRIN2B (0.38) BUB1CHRM2CHRM1CHRM3GRIN2B
SCHEMBL22806147 0.76 GRIN2B (0.38) BUB1CHRM2CHRM1CHRM3GRIN2B
SCHEMBL3373925 0.75 USP2 (0.45) BUB1CHRM2CHRM1CHRM3USP2
SCHEMBL31266454 0.75 CTSK (0.35) BUB1CHRM2CHRM1CHRM3GRIN2B
SCHEMBL6921819 0.74 CHRM2 (0.35) BUB1CHRM2CHRM1CHRM3GRIN2B
SCHEMBL4485043 0.73 GRIN2B (0.39) BUB1GRIN2BGRIN2CDDB1CRBN
SCHEMBL20456344 0.73 CHRM2 (0.37) BUB1CHRM2CHRM1CHRM3GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777020-B2 Furo-3-carboxamide derivatives and methods of use ABBVIE INC. (US) 2017-10-03 US disclosed
EP-3097095-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
US-20150210720-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. 2015-07-30 US disclosed
WO-2015112754-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2015-07-30 WO 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-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 (3 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-20150210720-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE NTRK2, MUSK, NTRK3 BUB1 1334/4885CHRM2 38/4885CHRM1 47/4885
US-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 BUB1 1099/4885CHRM2 844/4885CHRM1 1890/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 BUB1 1099/4885CHRM2 844/4885CHRM1 1890/4885

“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.