SCHEMBL1986144

SCHEMBL1986144

C[N+](C)(C)C1CCN(CCCn2ccc3c(N)cccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.42
ABCB1 P08183 1/20 0.37
HTR4 Q13639 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HTR6 P50406 2/20 0.34
BCHE P06276 1/20 0.34
CNR2 P34972 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
HTR7 P34969 1/20 0.33
KDM1A O60341 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL14659109 0.93 P2RX7 (0.36) P2RX7DRD2HTR6CNR2HTR2C
SCHEMBL14671502 0.86 KDM1A (0.45) P2RX7ABCB1SIGMAR1DRD2DRD4
SCHEMBL1988565 0.86 P2RX7 (0.37) P2RX7ABCB1SIGMAR1DRD2DRD4
SCHEMBL12597858 0.79 P2RX7 (0.34) P2RX7ABCB1HTR6CDK4CCND1
SCHEMBL1987426 0.79 HTR7 (0.33) P2RX7DRD2DRD4DRD3HTR6
SCHEMBL12597611 0.79 P2RX7 (0.44) P2RX7ABCB1SIGMAR1DRD2DRD4
SCHEMBL14668210 0.79 P2RX7 (0.36) P2RX7SIGMAR1DRD3CNR2HTR2C
SCHEMBL12480562 0.79 CNR2 (0.46) P2RX7SIGMAR1CNR2HTR7KDM1A
SCHEMBL1981671 0.75 HTR2C (0.39) P2RX7CDK4CCND1HTR2C
SCHEMBL12597675 0.75 P2RX7 (0.37) P2RX7SIGMAR1DRD4DRD3CNR2

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-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
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 P2RX7 2709/4885ABCB1 2381/4885HTR4 24/4885

“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.