SCHEMBL6924977

SCHEMBL6924977

CC(C1CC1)N1CCN(c2cc(-c3nc(-c4ccc(F)c(F)c4)c[nH]3)ccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.41
TLR8 Q9NR97 5/20 0.41
TLR7 Q9NYK1 5/20 0.41
ITGB2 P05107 7/20 0.38
ICAM1 P05362 7/20 0.38
ITGAL P20701 7/20 0.38
KCNH2 Q12809 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TRPV3 Q8NET8 1/20 0.37
LRRK2 Q5S007 2/20 0.35
PIK3C3 Q8NEB9 1/20 0.34

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
SCHEMBL6925239 0.92 TLR9 (0.39) TLR9TLR8TLR7ITGB2ICAM1
SCHEMBL6927296 0.91 HRH3 (0.42) TLR9TLR8TLR7ITGB2ICAM1
SCHEMBL6925150 0.84 WNT1 (0.42) TLR9TLR8TLR7ITGB2ICAM1
SCHEMBL6927205 0.82 KCNH2 (0.40) ITGB2ICAM1ITGALKCNH2TRPV3
SCHEMBL6925647 0.82 TLR9 (0.45) TLR9TLR8TLR7HRH3TRPV3
SCHEMBL6924877 0.82 PIK3C3 (0.38) KCNH2TRPV3LRRK2PIK3C3
SCHEMBL6927128 0.81 TLR9 (0.48) TLR9TLR8TLR7HRH3LRRK2
SCHEMBL6922362 0.80 HRH3 (0.44) KCNH2HRH3
SCHEMBL6923469 0.80 TRPV3 (0.39) TLR9TLR8TLR7TRPV3PIK3C3
SCHEMBL6924980 0.80 DRD2 (0.42) ITGB2ICAM1ITGALKCNH2PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355635-B1 IMIDAZOLEBENZENE, IMIDAZOLEPYRIDINE COMPOUNDS FOR TREATMENT OF OBESITY PFIZER INC. 2002-03-12 US claimed
US-20010039277-A1 Compounds for the treatment of obesity ELLIOTT RICHARD L (US) 2001-11-08 US claimed
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.