SCHEMBL2846727

SCHEMBL2846727

O=C1C[C@H]2CC[C@@H]1CC2=O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.31

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
SCHEMBL2848692 0.86 MAPK1 (0.35) DAO
SCHEMBL2848689 0.86 MAPK1 (0.35) DAO
SCHEMBL8009432 0.77
SCHEMBL17839935 0.77
SCHEMBL3537331 0.72
SCHEMBL21995884 0.72 SLC6A3 (0.33)
SCHEMBL8861127 0.72
Ethylene SCHEMBL6273686 0.72
SCHEMBL16905505 0.68 MAPK1 (0.33)
SCHEMBL3182637 0.67 DAO (0.33) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344461-B1 SALTS OF ISOBUTYRIC ACID (1R*,2R*,4R*)-2-(2-{[3-(4,7-DIMETHOXY-1 H-BENZOIMIDAZOL-2-YL)-PROPYL]-METHYL-AMINO}-ETHYL)-5-PHENYL-BICYCLO[2.2.2]OCT-5-EN-2-YL ESTER ACTELION PHARMACEUTICALS LTD (CH) 2016-12-14 EP disclosed
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8492555-B2 Salts of isobutyric acid (1 R*, 2R*, 4R*)-2-(2-{[3-(4,7-dimethoxy-1 H-benzoimidazol-2-yl)-methyl-amino}-ethyl)-5-phenyl-bicyclo[2.2.2]oct-5-en-2-yl ester ACTELION PHARMACEUTICALS LTD. (CH) 2013-07-23 US disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
WO-2010046857-A1 SALTS OF ISOBUTYRIC ACID (1 R*, 2R*, 4R* ) -2- (2-{ [3- (4, 7-DIMETH0XY-1 H-BENZOIMIDAZOL-2-YL) -PROPYL] -METHYL-AMINO } -ETHYL) -5-PHENYL-BICYCLO [2.2.2] OCT-5- EN- 2 -YL ACTELION PHARMACEUTICALS LTD (CH) 2010-04-29 WO disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2009130679-A1 BENZIMIDAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2009-10-29 WO disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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 (1 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A DAO 2826/4885

“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.