SCHEMBL712121

SCHEMBL712121

Cc1cnc(CO)c(C)c1OCC1COC(C)(C)OC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.38
AGXT P21549 1/20 0.37
PDE10A Q9Y233 1/20 0.36
ATP4A P20648 3/20 0.35
ATP4B P51164 3/20 0.35
HSP90AA1 P07900 3/20 0.32
HSP90AB1 P08238 3/20 0.32
SHMT2 P34897 1/20 0.31
WDR5 P61964 1/20 0.31
KMT2A Q03164 1/20 0.31
BRS3 P32247 1/20 0.31
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
RORC P51449 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
Water SCHEMBL713364 0.99 APP (0.37) APPAGXTPDE10AATP4AATP4B
SCHEMBL714517 0.89 PDE10A (0.36) AGXTPDE10AATP4AATP4BHSP90AA1
SCHEMBL712047 0.87 APP (0.38) APPAGXTPDE10AATP4AATP4B
SCHEMBL713329 0.84 AGXT (0.36) APPAGXTPDE10AATP4AATP4B
SCHEMBL711464 0.81 AGXT (0.35) APPAGXTPDE10AATP4AATP4B
SCHEMBL713489 0.78 APP (0.38) APPATP4AATP4B
SCHEMBL712557 0.78 AGXT (0.33) APPAGXTKMT2A
SCHEMBL714082 0.77 AGXT (0.37) AGXTATP4AATP4BHSP90AA1HSP90AB1
SCHEMBL3176688 0.75 AGXT (0.34) AGXTPDE10A
SCHEMBL710578 0.74 BRS3 (0.52) WDR5KMT2ABRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040564-B2 Stabilized composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-05-26 US disclosed
US-9040564-B2 Stabilized composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-05-26 US disclosed
US-9040564-B2 Stabilized composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-05-26 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
EP-1875911-A1 STABILIZED COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2008-01-09 EP disclosed
EP-1875911-A1 STABILIZED COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2008-01-09 EP disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US 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-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI APP 4618/4885AGXT 141/4885PDE10A 1339/4885
US-20070010542-A1 Benzimidazole compound HRH2, GIPR, HRH4 APP 4883/4885AGXT 1770/4885PDE10A 3035/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 APP 4883/4885AGXT 1770/4885PDE10A 3035/4885

“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.