SCHEMBL3841308

SCHEMBL3841308

C[N+](C)(C)CCCNc1nn2c3c(ccc2c1N)CCC3

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.31
HTR6 P50406 1/20 0.31

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
Hydrochloric Acid SCHEMBL3858706 0.98 HTR2B (0.30) HTR2BHTR6
SCHEMBL3839768 0.93 HPGD (0.33) HTR2BHTR6
Hydrochloric Acid SCHEMBL3853562 0.91 HPGD (0.32) HTR2BHTR6
SCHEMBL17365403 0.87 TLR8 (0.35)
SCHEMBL9965872 0.85
SCHEMBL17365401 0.84 APP (0.32) HTR2BHTR6
SCHEMBL5145255 0.84 MAPT (0.36) HTR6
Hydrochloric Acid SCHEMBL3855219 0.83
SCHEMBL1840005 0.82 KDM4E (0.32)
SCHEMBL1838369 0.81 KAT2B (0.35) HTR6

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 44 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-2651935-B1 DYEING COMPOSITION COMPRISING A FATTY SUBSTANCE, A PYRAZOLOPYRIDINE OXIDATION BASE AND A COUPLER ORÉAL L (FR) 2016-11-23 EP claimed
US-7578856-B2 Dyeing compositions comprising at least one aminopyrazolopyridine oxidation base, at least one coupler and at least one C4-C30 polyol and methods and use thereof L'OREAL S.A. (FR) 2009-08-25 US 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
US-10596091-B2 Hair color-altering compositions L'OREAL (FR) 2020-03-24 US disclosed
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP disclosed
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP disclosed
WO-2017108847-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER L'OREAL (FR) 2017-06-29 WO 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
EP-1992331-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol L'Oreal (FR) 2008-11-19 EP disclosed
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 disclosed
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 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 (2 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 HTR2B 1550/4885HTR6 1790/4885
US-10596091-B2 Hair color-altering compositions ALDH7A1, ABAT, AADAT HTR2B 2038/4885HTR6 669/4885

“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.