SCHEMBL6927296

SCHEMBL6927296

CC(C1CC1)N1CCN(c2cc(-c3nc(-c4ccc(F)cc4)c[nH]3)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
TLR9 Q9NR96 5/20 0.41
TLR8 Q9NR97 5/20 0.41
TLR7 Q9NYK1 5/20 0.41
ITGB2 P05107 8/20 0.38
ICAM1 P05362 8/20 0.38
ITGAL P20701 8/20 0.38
TDO2 P48775 1/20 0.36
LRRK2 Q5S007 2/20 0.35
MAPK14 Q16539 2/20 0.35
TRPV3 Q8NET8 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
SCHEMBL6924977 0.91 TLR9 (0.41) HRH3TLR9TLR8TLR7ITGB2
SCHEMBL6927128 0.90 TLR9 (0.48) HRH3TLR9TLR8TLR7TDO2
SCHEMBL6925239 0.89 TLR9 (0.39) HRH3TLR9TLR8TLR7ITGB2
SCHEMBL6926147 0.84 HTR1A (0.41) HRH3TLR9TLR8TLR7TDO2
SCHEMBL6925237 0.83 WNT1 (0.42) TLR9TLR8TLR7ITGB2ICAM1
SCHEMBL6925464 0.82 DRD2 (0.44) ITGB2ICAM1ITGALTDO2LRRK2
SCHEMBL6926804 0.81 TRPA1 (0.39) MAPK14
SCHEMBL6925249 0.80 ITGB2 (0.49) ITGB2ICAM1ITGALTDO2
SCHEMBL6927297 0.80 DRD2 (0.43) ITGB2ICAM1ITGAL
SCHEMBL6925647 0.78 TLR9 (0.45) HRH3TLR9TLR8TLR7LRRK2

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 HRH3 816/4885TLR9 3876/4885TLR8 3260/4885

“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.