SCHEMBL737422

SCHEMBL737422

CN1C2CC(=O)CC1CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
MAPK1 P28482 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
FPR2 P25090 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
NAMPT P43490 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
USP30 Q70CQ3 1/20 0.39
HPGD P15428 1/20 0.39
RORC P51449 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL738468 0.87 CHRM2 (0.50) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL27456630 0.84 NR1H2 (0.50) NR1H2MAPK1DDB1CRBNUSP2
SCHEMBL21739097 0.84 NR1H2 (0.54) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL14934008 0.84 NR1H2 (0.50) NR1H2MAPK1DDB1CRBNUSP2
SCHEMBL24582817 0.84 NR1H2 (0.44) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL738469 0.84 NR1H2 (0.44) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL14706988 0.81 USP2 (0.50) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL20566526 0.81 NR1H2 (0.58) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL13727442 0.81 NR1H2 (0.58) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL22270526 0.81 NR1H2 (0.58) NR1H2DDB1CRBNUSP2SMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138340-B2 Bicyclononene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-20 US disclosed
US-8138340-B2 Bicyclononene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-20 US disclosed
US-8138340-B2 Bicyclononene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-20 US disclosed
EP-1501830-B1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-05 EP disclosed
US-7915259-B2 7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dimethylbenzyl)amide; retin inhibitor with other active ingredients; cardiovascular diseases and renal insufficiency ACTELION PHARMACEUTICALS LTD. (CH) 2011-03-29 US disclosed
EP-1786814-B1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2010-03-31 EP disclosed
EP-1786814-B1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2010-03-31 EP disclosed
US-20090306123-A1 Bicyclononene derivaties ACTELION PHARMACEUTICALS LTD. (CH) 2009-12-10 US disclosed
US-20090306123-A1 Bicyclononene derivaties ACTELION PHARMACEUTICALS LTD. (CH) 2009-12-10 US disclosed
US-20090306123-A1 Bicyclononene derivaties ACTELION PHARMACEUTICALS LTD. (CH) 2009-12-10 US disclosed
US-20080161313-A1 Diazabicyclononene Derivatives and Use Thereof ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 US disclosed
US-20080103152-A1 Novel Diazabicyclononene Derivative ACTELION PHARMACEUTICALS LTD (CH) 2008-05-01 US disclosed
WO-2006131884-A2 THIAZOLE SUBSTITUTED DIAZABICYCLONONANE OR-NONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-12-14 WO disclosed
WO-2006131884-A2 THIAZOLE SUBSTITUTED DIAZABICYCLONONANE OR-NONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-12-14 WO disclosed
WO-2006021402-A1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2006-03-02 WO disclosed
WO-2006021403-A1 BICYCLONONENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2004105762-A1 MEDICAL USE OF DIAZABICYCLONONENE DERIVATIVES AS INHIBITORS OF PARASITE ASPARTIC PROTEASES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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 (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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE NR1H2 653/4885MAPK1 135/4885DDB1 1698/4885
US-20090306123-A1 Bicyclononene derivaties REN, ACE, CYP51A1 NR1H2 1159/4885MAPK1 194/4885DDB1 4068/4885
US-20080161313-A1 Diazabicyclononene Derivatives and Use Thereof REN, ACE, AGTR1 NR1H2 2333/4885MAPK1 314/4885DDB1 1022/4885
US-20080103152-A1 Novel Diazabicyclononene Derivative REN, ACE, ACE2 NR1H2 2949/4885MAPK1 395/4885DDB1 1038/4885

“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.