SCHEMBL372756

SCHEMBL372756

CCC[N+](C)(C)CCOC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.46
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.34
SLC22A1 O15245 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL15290877 0.97 DNM1 (0.44) DNM1HTTLMNASLC22A1MLNR
Hydrochloric Acid SCHEMBL29412470 0.95 DNM1 (0.42) DNM1HTTLMNASLC22A1MLNR
SCHEMBL12583479 0.88 HTT (0.32) DNM1HTTLMNA
Iodide SCHEMBL30869327 0.85 HTT (0.30) HTT
Hydrochloric Acid SCHEMBL30869365 0.85 HTT (0.30) HTT
Bromide SCHEMBL30869348 0.85 DNM1 (0.33) DNM1HTTLMNAALDH1A1CYP3A4
SCHEMBL372359 0.84 DNM1 (0.56) DNM1HTTLMNASLC22A1MLNR
SCHEMBL5944756 0.82 HTT (0.64) DNM1HTTLMNAMLNRNR1I2
SCHEMBL13714974 0.80 HTT (0.68) DNM1HTTLMNAMLNRNR1I2
SCHEMBL4807333 0.80 HTT (0.68) DNM1HTTLMNAMLNRNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48165-E1 Alkenyl (perfluoroalkyl) phosphinic acids MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
US-10160777-B2 Alkenyl(perfluoroalkyl)phosphinic acids MERCK PATENT GMBH (DE) 2018-12-25 US disclosed
EP-3207047-B1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID MERCK PATENT GMBH (DE) 2018-09-12 EP disclosed
US-20170240574-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACIDS MERCK PATENT GMBH (DE) 2017-08-24 US disclosed
EP-3207047-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID Merck Patent GmbH (DE) 2017-08-23 EP disclosed
US-20160304804-A1 METHOD FOR THE PRESERVATION OF A MACHINE ELEMENT AND USE OF AN ANIONIC LIQUID MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
WO-2016074757-A1 METHOD FOR THE PREPARATION OF MONO- AND BIS(PERFLUOROALKYL)FLUOROPHOSPHATE SALTS AND THEIR ACIDS MERCK PATENT GMBH (DE) 2016-05-19 WO disclosed
WO-2016058668-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID MERCK PATENT GMBH (DE) 2016-04-21 WO disclosed
US-9175021-B2 Process for the preparation of perfluoroalkylcyano- or perfluoroalkylcyanofluoroborates MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
US-20150291515-A1 SALTS CONTAINING TRIHYDROPERFLUOROALKOXYBUTANESULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANESULFONATE ANION MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
US-20120264946-A1 COMPOUNDS WITH (PERFLUOROALKYL) FLUOROHYDROGENPHOSPHATE ANIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-18 US disclosed
US-20120237838-A1 LITHIUM AIR BATTERY SONY CORPORATION (JP) 2012-09-20 US disclosed
EP-2495803-A1 LITHIUM-AIR BATTERY Sony Corporation (JP) 2012-09-05 EP disclosed
WO-2012048772-A1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS MERCK PATENT GMBH (DE) 2012-04-19 WO disclosed
EP-2410601-A1 IONIC LIQUID, ELECTROLYTE, LITHIUM SECONDARY BATTERY COMPRISING SAME, AND PROCESS FOR PRODUCING IONIC LIQUID The Nippon Synthetic Chemical Industry Co., Ltd. (JP) 2012-01-25 EP disclosed
US-20110311865-A1 IONIC LIQUID, ELECTROLYTE, LITHIUM SECONDARY BATTERY USING THE SAME, AND PROCESS FOR PRODUCING IONIC LIQUID THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2011-12-22 US disclosed
WO-2011085966-A1 METHOD FOR PRODUCING PERFLUOROALKYL CYANOBORATES OR PERFLUOROALKYL CYANOFLUOROBORATES MERCK PATENT GMBH (DE) 2011-07-21 WO disclosed
WO-2011072810-A1 COMPOUNDS WITH (PERFLUORALKYL)FLUORO-HYDROGENPHOSPHATE ANIONS MERCK PATENT GMBH (DE) 2011-06-23 WO disclosed
WO-2010069458-A1 HEXAHALOCHROMATE (LLL) COMPLEXES MERCK PATENT GMBH (DE) 2010-06-24 WO disclosed
US-20060186419-A1 Light-emitting device KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-24 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 (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-10160777-B2 Alkenyl(perfluoroalkyl)phosphinic acids PHOSPHO1, PFAS, SLCO4C1 DNM1 2294/4885HTT 613/4885LMNA 2380/4885
US-20150291515-A1 SALTS CONTAINING TRIHYDROPERFLUOROALKOXYBUTANESULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANESULFONATE ANION STS, ARSA, TST DNM1 2099/4885HTT 175/4885LMNA 4094/4885
US-20170240574-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACIDS PHOSPHO1, PFAS, SLCO4C1 DNM1 2294/4885HTT 613/4885LMNA 2380/4885
US-20120264946-A1 COMPOUNDS WITH (PERFLUOROALKYL) FLUOROHYDROGENPHOSPHATE ANIONS PFKFB3, PFKFB2, PFKFB1 DNM1 2485/4885HTT 1499/4885LMNA 2611/4885

“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.