SCHEMBL1990729

SCHEMBL1990729

C[N+](C)(C)C1CCCN1CCn1ccc2c(N)cccc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.33
HTR2C P28335 3/20 0.33
PARP1 P09874 1/20 0.31
HTR2A P28223 2/20 0.31
P2RX7 Q99572 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
SCHEMBL12597858 0.93 P2RX7 (0.34) HTR6HTR2CPARP1P2RX7
SCHEMBL1987426 0.79 HTR7 (0.33) HTR6PARP1P2RX7
SCHEMBL14659109 0.78 P2RX7 (0.36) HTR6HTR2CPARP1HTR2AP2RX7
SCHEMBL1988565 0.75 P2RX7 (0.37) P2RX7
SCHEMBL1986144 0.74 P2RX7 (0.42) HTR6HTR2CP2RX7
SCHEMBL1990730 0.72 HTR2C (0.44) HTR6HTR2CPARP1HTR2AP2RX7
SCHEMBL1981671 0.70 HTR2C (0.39) HTR2CPARP1HTR2AP2RX7
SCHEMBL14671502 0.69 KDM1A (0.45) P2RX7
SCHEMBL12597614 0.69 P2RX7 (0.38) HTR6HTR2CPARP1HTR2AP2RX7
SCHEMBL31694729 0.68 TUBB4A (0.41) HTR6HTR2CPARP1HTR2A

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 9 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
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
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 disclosed
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 disclosed
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 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 HTR6 199/4885HTR2C 49/4885PARP1 2109/4885

“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.