SCHEMBL9974696

SCHEMBL9974696

C[N+]1(C)CCN(CCCNCCNc2ncc(N)cc2N)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
PGK1 P00558 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TLR8 Q9NR97 3/20 0.31
TLR7 Q9NYK1 3/20 0.31
SCN5A Q14524 2/20 0.31
FGFR1 P11362 2/20 0.31
KDR P35968 2/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT5A Q9NQR1 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL12598686 0.87 FGFR1 (0.41) HRH3HRH4PGK1TLR8TLR7
SCHEMBL27888233 0.79 HRH3 (0.45) HRH3HRH4PGK1TLR8TLR7
Hydrochloric Acid SCHEMBL28807113 0.78 HRH3 (0.44) HRH3HRH4PGK1TLR8TLR7
Hydrochloric Acid SCHEMBL1979561 0.78 HRH3 (0.44) HRH3HRH4PGK1TLR8TLR7
SCHEMBL1984863 0.78
SCHEMBL9957731 0.76
SCHEMBL1998225 0.75 HPGD (0.32)
SCHEMBL1979684 0.75
SCHEMBL1979288 0.74
SCHEMBL15127638 0.73 ALDH1A1 (0.36) ALDH1A1TLR8KDM4E

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 10 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
WO-2016097022-A1 DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND A PARTICULAR COUPLER L'OREAL (FR) 2016-06-23 WO disclosed
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
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-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-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-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

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 HRH3 253/4885HRH4 96/4885PGK1 3370/4885

“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.