SCHEMBL9957698

SCHEMBL9957698

C[N+](C)(C)CCCOCCNc1ncc(N)cc1N

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 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
SCHEMBL9936132 0.92 CHRNB2 (0.31) ENPP1
SCHEMBL1981004 0.86 L3MBTL1 (0.31)
SCHEMBL9936761 0.83
SCHEMBL15127632 0.82 ALDH1A1 (0.37) ENPP1
Hydrochloric Acid SCHEMBL9935927 0.82
SCHEMBL17677065 0.82 TLR8 (0.43)
SCHEMBL9937071 0.81
Hydrochloric Acid SCHEMBL9935940 0.80
SCHEMBL17677102 0.78 TLR8 (0.36) ENPP1
SCHEMBL9936283 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509951-B1 NOVEL CATIONIC AMINOPYRIDINES, DYE COMPOSITION COMPRISING A CATIONIC AMINOPYRIDINE, PROCESSES THEREFOR AND USES THEREOF ORÉAL L (FR) 2016-04-13 EP claimed
US-9220671-B2 Dye composition comprising at least four dye precursors including at least one oxidation base and at least one coupler L'OREAL (FR) 2015-12-29 US claimed
US-8491669-B2 Cationic 4-aminopyridine, dye composition comprising a cationic 4-aminopyridine, processes therefor and uses thereof L'OREAL (FR) 2013-07-23 US claimed
US-20130048007-A1 NOVEL CATIONIC 4- AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2013-02-28 US claimed
EP-2509951-B1 NOVEL CATIONIC AMINOPYRIDINES, DYE COMPOSITION COMPRISING A CATIONIC AMINOPYRIDINE, PROCESSES THEREFOR AND USES THEREOF ORÉAL L (FR) 2016-04-13 EP disclosed
US-8491669-B2 Cationic 4-aminopyridine, dye composition comprising a cationic 4-aminopyridine, processes therefor and uses thereof L'OREAL (FR) 2013-07-23 US disclosed
US-20130048007-A1 NOVEL CATIONIC 4- AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2013-02-28 US disclosed
WO-2012080286-A9 DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2013-01-31 WO disclosed
WO-2012084472-A1 PROCESS FOR DYEING KERATIN FIBRES USING HYDROXYBENZALDEHYDE DERIVATIVES, OXIDIZING AGENTS AND ALKALINIZING AGENTS IN THE PRESENCE OF HEAT L'OREAL (FR) 2012-06-28 WO disclosed
WO-2012080289-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
WO-2012080286-A2 DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
WO-2012080287-A2 DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
WO-2011069898-A1 NOVEL CATIONIC AMINOPYRIDINES, DYE COMPOSITION COMPRISING A CATIONIC AMINOPYRIDINE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2011-06-16 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 (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-20130048007-A1 NOVEL CATIONIC 4- AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF TPH1, ALDH7A1, FARS2 ENPP1 3295/4885

“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.