SCHEMBL3520804

SCHEMBL3520804

C[N+]1(CCOc2nn3ccccc3c2N)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.43
CHRNB4 P30926 4/20 0.43
CHRNA3 P32297 4/20 0.43
CHRNA7 P36544 4/20 0.43
CHRNA4 P43681 4/20 0.43
CHRNA10 Q9GZZ6 3/20 0.43
CHRNA9 Q9UGM1 3/20 0.43
HTT P42858 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KDM4E B2RXH2 2/20 0.35
EGFR P00533 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
SLC22A2 O15244 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 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
SCHEMBL3836264 0.99 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL1152121 0.98 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL3853489 0.96 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18560589 0.96 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3837846 0.90 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL3849824 0.88 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13646840 0.84 HTT (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13714359 0.82 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16078200 0.79 EGFR (0.40) HTTKDM4EEGFRALDH1A1HPGD
SCHEMBL12860808 0.79 HTT (0.34) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP claimed
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP claimed
EP-2155153-B1 DYEING COMPOSITION COMPRISING A SPECIFIC AMINOPYRAZOLOPYRIDINE OXIDATION BASE, A COUPLER AND A SPECIFIC SURFACTANT L'ORÉAL (FR) 2017-03-01 EP claimed
EP-2651935-B1 DYEING COMPOSITION COMPRISING A FATTY SUBSTANCE, A PYRAZOLOPYRIDINE OXIDATION BASE AND A COUPLER ORÉAL L (FR) 2016-11-23 EP claimed
EP-1792903-B1 Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative OREAL (FR) 2009-10-14 EP claimed
WO-2008149005-A2 DYE COMPOSITION COMPRISING AN AMINOPYRAZOLOPYRIDINE OXIDATION BASE AND A SOURCE OF CARBONATE IONS L'OREAL (FR) 2008-12-11 WO claimed
EP-1992331-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol L'Oreal (FR) 2008-11-19 EP claimed
EP-1992330-A2 Process for colouring keratinous fibres comprising the application of an aminopyrazolopyridine oxidation base in the absence of oxidizing agent L'Oreal (FR) 2008-11-19 EP claimed
EP-1992329-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base and a specific associative polymer L'Oréal (FR) 2008-11-19 EP claimed
EP-1792903-A1 Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative L'OREAL (FR) 2007-06-06 EP claimed
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler L'OREAL (FR) 2023-08-22 US disclosed
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP disclosed
US-20170354580-A1 DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND A HETEROCYCLIC OXIDATION BASE L'OREAL (FR) 2017-12-14 US disclosed
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP disclosed
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP disclosed
EP-1992331-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol L'Oreal (FR) 2008-11-19 EP disclosed
US-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof L'OREAL S.A. (FR) 2007-06-21 US disclosed
US-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof L'OREAL S.A. (FR) 2007-06-21 US disclosed
EP-1792903-A1 Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative L'OREAL (FR) 2007-06-06 EP disclosed
EP-1792903-A1 Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative L'OREAL (FR) 2007-06-06 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 (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-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof KRT18, COX5A, PNPO CHRNB2 1840/4885CHRNB4 1294/4885CHRNA3 1885/4885
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler KRT18, COX5B, COX5A CHRNB2 1111/4885CHRNB4 1251/4885CHRNA3 2063/4885
US-20170354580-A1 DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND A HETEROCYCLIC OXIDATION BASE KRT18, DSG1, SQOR CHRNB2 1274/4885CHRNB4 1039/4885CHRNA3 2424/4885

“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.