SCHEMBL4366079

SCHEMBL4366079

C=CCN1C=CN(CCC(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 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
SCHEMBL27944719 0.83 SORT1 (0.33)
SCHEMBL4365987 0.82
SCHEMBL87312 0.81 CYP3A4 (0.32)
SCHEMBL3304997 0.80
Bromide SCHEMBL1045354 0.79 CYP3A4 (0.31)
Hydrochloric Acid SCHEMBL572769 0.79 CYP3A4 (0.31)
Iodide SCHEMBL2341578 0.79 CYP3A4 (0.31)
Bromide SCHEMBL28977680 0.78
Iodide SCHEMBL4363781 0.78
Hydrochloric Acid SCHEMBL4367848 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1721900-B1 NOVEL IMIDAZOLIUM COMPOUND KANTO KAGAKU (JP) 2014-06-11 EP disclosed
US-7517999-B2 needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-04-14 US disclosed
US-20070191612-A1 Needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide HIROYUKI OHNO (JP) 2007-08-16 US disclosed
CN-1922152-A Novel imidazolium compound KANTO KAGAKU (JP) 2007-02-28 CN disclosed
EP-1721900-A1 NOVEL IMIDAZOLIUM COMPOUND Kanto Kagaku Kabushiki Kaisha (JP) 2006-11-15 EP 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-20070191612-A1 Needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide SLC26A3, KCNJ11, SLC26A4 TSHR 1992/4885

“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.