SCHEMBL6926271

SCHEMBL6926271

CC(C)N1CCN(c2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)c[nH]3)ccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.45
TLR8 Q9NR97 4/20 0.45
TLR7 Q9NYK1 3/20 0.45
DYRK1A Q13627 6/20 0.39
WNT1 P04628 5/20 0.39
GSK3B P49841 5/20 0.39
LRRK2 Q5S007 4/20 0.39
NMT1 P30419 2/20 0.38
CNR2 P34972 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
KMO O15229 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL6925647 0.91 TLR9 (0.45) TLR9TLR8TLR7DYRK1AWNT1
SCHEMBL6927253 0.87 CNR2 (0.48) TLR9TLR8TLR7LRRK2CNR2
SCHEMBL6927511 0.87 WNT1 (0.41) DYRK1AWNT1GSK3BLRRK2NMT1
SCHEMBL6927128 0.86 TLR9 (0.48) TLR9TLR8TLR7DYRK1AWNT1
SCHEMBL6925881 0.85 PIK3C3 (0.42) DYRK1AWNT1GSK3BLRRK2NMT1
SCHEMBL6927892 0.85 DYRK1A (0.49) DYRK1ANMT1
SCHEMBL6923469 0.83 TRPV3 (0.39) TLR9TLR8TLR7NMT1PIK3C3
SCHEMBL6927498 0.83 ITGB2 (0.41) DYRK1ALRRK2NMT1CNR2KMO
SCHEMBL6926838 0.82 FYN (0.46) TLR9TLR8TLR7DYRK1AWNT1
SCHEMBL6925239 0.82 TLR9 (0.39) TLR9TLR8TLR7NMT1PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514966-B2 Neuropeptide Y antagonists such as 2-chloro-5-(4-(3,4-dich loro-phenyl)-1H-imidazol-2-yl)-pyridine PFIZER INC. 2003-02-04 US disclosed
US-6355635-B1 IMIDAZOLEBENZENE, IMIDAZOLEPYRIDINE COMPOUNDS FOR TREATMENT OF OBESITY PFIZER INC. 2002-03-12 US disclosed
US-20010039277-A1 Compounds for the treatment of obesity ELLIOTT RICHARD L (US) 2001-11-08 US 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-20010039277-A1 Compounds for the treatment of obesity NPY1R, NPY4R, NPY2R TLR9 3876/4885TLR8 3260/4885TLR7 3349/4885

“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.