SCHEMBL6477753

SCHEMBL6477753

Nc1ccc(N)c(CCN2CCNC2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.37
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 3/20 0.36
SLC6A2 P23975 2/20 0.36
ACHE P22303 2/20 0.36
KCNJ1 P48048 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NR1H2 P55055 1/20 0.31
DRD2 P14416 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL18940348 0.91 SIGMAR1 (0.45) SIGMAR1SLC6A4KCNH2SLC6A2ACHE
SCHEMBL18940349 0.82 SIGMAR1 (0.50) SIGMAR1SLC6A4KCNH2SLC6A2KCNJ1
SCHEMBL12005483 0.79 ACHE (0.51) SIGMAR1ACHESLC6A3
SCHEMBL18940336 0.78 ACHE (0.50) SIGMAR1ACHESLC6A3
SCHEMBL18940353 0.76 NR1H2 (0.49) SIGMAR1NR1H2
SCHEMBL18940354 0.76 MAOA (0.39) SIGMAR1ACHENR1H2MAOA
SCHEMBL18940337 0.75 SIGMAR1 (0.40) SIGMAR1ACHE
SCHEMBL12005459 0.75 SIGMAR1 (0.46) SIGMAR1ACHE
SCHEMBL18940324 0.72 SLC6A4 (0.41) SIGMAR1SLC6A4KCNH2SLC6A2ACHE
SCHEMBL16341499 0.70 ACHE (0.49) SIGMAR1SLC6A4ACHESLC6A3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951574-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY (US) 2005-10-04 US disclosed
US-20040255403-A1 Primary intermediates for oxidative coloration of hair LIM MU-ILL (US) 2004-12-23 US disclosed
US-6780999-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY 2004-08-24 US disclosed
EP-1353895-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-10-22 EP disclosed
US-20020144357-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US disclosed
WO-2002058632-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLARIOL, INC. (US) 2002-08-01 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 (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-20040255403-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 SIGMAR1 1872/4885SLC6A4 4072/4885KCNH2 616/4885
US-20020144357-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 SIGMAR1 1872/4885SLC6A4 4072/4885KCNH2 616/4885

“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.