SCHEMBL1988565

SCHEMBL1988565

C[N+](C)(C)C1CCCN(CCCn2ccc3c(N)cccc32)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.37
ABCB1 P08183 1/20 0.35
HTR7 P34969 4/20 0.35
HRH3 Q9Y5N1 2/20 0.33
SIGMAR1 Q99720 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
TMEM97 Q5BJF2 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
SCHEMBL1987426 0.93 HTR7 (0.33) P2RX7HTR7DRD2DRD4DRD3
SCHEMBL1986144 0.86 P2RX7 (0.42) P2RX7ABCB1HTR7SIGMAR1DRD2
SCHEMBL12597858 0.80 P2RX7 (0.34) P2RX7ABCB1
SCHEMBL14668210 0.80 P2RX7 (0.36) P2RX7SIGMAR1DRD3TMEM97
SCHEMBL14659109 0.79 P2RX7 (0.36) P2RX7DRD2
SCHEMBL14671502 0.78 KDM1A (0.45) P2RX7ABCB1HTR7HRH3SIGMAR1
SCHEMBL12597675 0.76 P2RX7 (0.37) P2RX7SIGMAR1DRD4DRD3
SCHEMBL1990729 0.75 HTR6 (0.33) P2RX7
SCHEMBL14668209 0.74 P2RX7 (0.36) P2RX7ABCB1SIGMAR1DRD2DRD4
SCHEMBL12597613 0.74 P2RX7 (0.36) P2RX7SIGMAR1DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509977-B1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF OREAL (FR) 2014-03-26 EP claimed
US-8568491-B2 Cationic 4-aminoindoles, dye composition comprising a cationic 4-aminoindole, processes therefor and uses thereof L'OREAL (FR) 2013-10-29 US claimed
US-20130025618-A1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2013-01-31 US claimed
EP-2509977-A1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'Oréal (FR) 2012-10-17 EP claimed
WO-2011069952-A1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2011-06-16 WO claimed
EP-2509977-B1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF OREAL (FR) 2014-03-26 EP disclosed
EP-2509977-B1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF OREAL (FR) 2014-03-26 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-20130025618-A1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF TPH1, TPH2, FARS2 P2RX7 2709/4885ABCB1 2381/4885HTR7 26/4885

“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.