SCHEMBL6925237

SCHEMBL6925237

CC(C)CN1CCN(c2cc(-c3nc(-c4ccc(F)cc4)c[nH]3)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
DRD4 P21917 4/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
TDO2 P48775 1/20 0.37
PRKD1 Q15139 2/20 0.37
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
KCNH2 Q12809 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 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
SCHEMBL6925150 0.92 WNT1 (0.42) WNT1GSK3BDYRK1APRKD1TLR9
SCHEMBL6927875 0.92 WNT1 (0.40) WNT1GSK3BDYRK1ADRD4DRD2
SCHEMBL6927962 0.90 WNT1 (0.44) WNT1GSK3BDYRK1ADRD4DRD2
SCHEMBL6925464 0.89 DRD2 (0.44) WNT1GSK3BDYRK1ADRD4DRD2
SCHEMBL6920718 0.89 PIK3C3 (0.40) WNT1GSK3BDYRK1ADRD4DRD2
SCHEMBL6927511 0.87 WNT1 (0.41) WNT1GSK3BDYRK1APRKD1
SCHEMBL6925707 0.87 ITGB2 (0.44) WNT1GSK3BDYRK1AITGB2ICAM1
SCHEMBL6925249 0.87 ITGB2 (0.49) WNT1GSK3BDYRK1ADRD4DRD2
SCHEMBL6927128 0.87 TLR9 (0.48) WNT1GSK3BDYRK1ATDO2TLR9
SCHEMBL6927079 0.87 TDO2 (0.43) DRD4DRD2DRD3TDO2TLR9

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 WNT1 3698/4885GSK3B 1100/4885DYRK1A 1085/4885

“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.