SCHEMBL898763

SCHEMBL898763

CCCN1C=CN(CCOC)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
PDE4A P27815 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
GBA1 P04062 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
SCHEMBL4904927 0.91 ALDH1A1 (0.40) ALDH1A1GBA1
SCHEMBL898754 0.88 ALDH1A1 (0.33) ALDH1A1
SCHEMBL424012 0.87 ALDH1A1 (0.35) ALDH1A1GBA1
Hydrochloric Acid SCHEMBL28360009 0.85 ALDH1A1 (0.34) ALDH1A1
Bromide SCHEMBL29198551 0.85 ALDH1A1 (0.34) ALDH1A1
SCHEMBL349593 0.83
SCHEMBL3302873 0.83
Hydrochloric Acid SCHEMBL961677 0.81
Iodide SCHEMBL1894751 0.81
Bromide SCHEMBL1657078 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921589-B2 Electrolyte formulations MERCK PATENT GMBH (DE) 2014-12-30 US claimed
US-8829201-B2 Electrolyte Formulations MERCK PATENT GMBH (DE) 2014-09-09 US claimed
US-20120318360-A1 Electrolyte Formulations MERCK PATENT GMBH (DE) 2012-12-20 US claimed
WO-2017067631-A1 BLUE OPTOELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2017-04-27 WO disclosed
EP-2731955-B1 COMPOUNDS CONTAINING ALKYL-CYANO-BORATE OR ALKYL-CYANO-FLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2017-01-11 EP disclosed
EP-2925768-B1 COBALTCOMPLEX SALTS MERCK PATENT GMBH (DE) 2016-12-21 EP disclosed
US-9518068-B2 Compounds containing hydrido-tricyano-borate anions MERCK PATENT GMBH (DE) 2016-12-13 US disclosed
EP-2714698-B1 COMPOUNDS CONTAINING HYDRIDO-TRICYANO-BORATE ANIONS MERCK PATENT GMBH (DE) 2016-11-09 EP disclosed
US-9409925-B2 Compounds containing hydrido-tricyano-borate anions MERCK PATENT GMBH (DE) 2016-08-09 US disclosed
CN-103687863-B9 Compound containing alkyl-cyano group-borate or alkyl-cyano group-fluoboric acid root anion 默克专利有限公司 2016-07-27 CN disclosed
US-20160167972-A1 COMPOUNDS CONTAINING HYDRIDO-TRICYANO-BORATE ANIONS MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
WO-2012163490-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-12-06 WO disclosed
US-20120309982-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-20120296096-A1 COMPOUNDS CONTAINING PERFLUOROALKYL-CYANO-ALKOXY-BORATE ANIONS OR PERFLUOROALKYL-CYANO-ALKOXY-FLUORO-BORATE ANIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-22 US disclosed
CN-102712660-A Compounds containing perfluoroalkyl-cyano-alkoxy-borate anions or perfluoroalkyl-cyano-alkoxy-fluoro-borate anions MERCK PATENT GMBH 2012-10-03 CN disclosed
WO-2012041437-A2 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed
WO-2012041434-A1 ELECTROLYTE FORMULATIONS CONTAINING CYANO-ALKOXY-BORATE ANIONS MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed
WO-2011085965-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2011-07-21 WO disclosed
WO-2011085964-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2011-07-21 WO disclosed
WO-2011085967-A1 COMPOUNDS CONTAINING PERFLUOROALKYL-CYANO-ALKOXY-BORATE ANIONS OR PERFLUOROALKYL-CYANO-ALKOXY-FLUORO-BORATE ANIONS MERCK PATENT GMBH (DE) 2011-07-21 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-20120318360-A1 Electrolyte Formulations NHERF1, HCN4, DDT ALDH1A1 1217/4885PDE4A 1522/4885ADORA2A 4782/4885
US-20120309982-A1 ELECTROLYTE FORMULATIONS SLC9A5, NHERF1, AFF1 ALDH1A1 676/4885PDE4A 3081/4885ADORA2A 3101/4885
US-20120296096-A1 COMPOUNDS CONTAINING PERFLUOROALKYL-CYANO-ALKOXY-BORATE ANIONS OR PERFLUOROALKYL-CYANO-ALKOXY-FLUORO-BORATE ANIONS PFAS, PFKFB3, PFKFB1 ALDH1A1 1621/4885PDE4A 4361/4885ADORA2A 3042/4885

“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.