SCHEMBL714082

SCHEMBL714082

Cc1cnc(CO)c(C)c1OCC1OCC(C)(C)CO1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.37
ATP4A P20648 3/20 0.33
ATP4B P51164 3/20 0.33
HSP90AA1 P07900 3/20 0.32
HSP90AB1 P08238 3/20 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
SCHEMBL712468 0.77 NPC1 (0.32)
SCHEMBL712121 0.77 APP (0.38) AGXTATP4AATP4BHSP90AA1HSP90AB1
Water SCHEMBL713364 0.76 APP (0.37) AGXTATP4AATP4BHSP90AA1HSP90AB1
SCHEMBL714517 0.72 PDE10A (0.36) AGXTATP4AATP4BHSP90AA1HSP90AB1
SCHEMBL8910240 0.71 AGXT (0.49) AGXTATP4AATP4BHSP90AA1HSP90AB1
SCHEMBL29382857 0.70 AGXT (0.66) AGXTATP4AATP4BHSP90AA1HSP90AB1
SCHEMBL1060082 0.70 AGXT (0.66) AGXTATP4AATP4BHSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL3247161 0.69 AGXT (0.64) AGXTATP4AATP4BHSP90AA1HSP90AB1
SCHEMBL8500701 0.67 AGXT (0.45) AGXTATP4AATP4BHSP90AA1HSP90AB1
SCHEMBL3182871 0.66 AGXT (0.44) AGXTATP4AATP4BHSP90AA1HSP90AB1

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-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US 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-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-20070010542-A1 Benzimidazole compound HRH2, GIPR, HRH4 AGXT 1770/4885ATP4A 317/4885ATP4B 1795/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 AGXT 1759/4885ATP4A 175/4885ATP4B 1335/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 AGXT 1770/4885ATP4A 317/4885ATP4B 1795/4885

“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.