SCHEMBL6925249

SCHEMBL6925249

CCCN1CCN(c2cc(-c3nc(-c4ccc(F)cc4)c[nH]3)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.49
ICAM1 P05362 2/20 0.49
ITGAL P20701 2/20 0.49
TDO2 P48775 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
DRD2 P14416 11/20 0.39
SLC6A4 P31645 2/20 0.39
HTR2A P28223 8/20 0.39
DRD3 P35462 7/20 0.38
DRD4 P21917 6/20 0.38
HTR1A P08908 5/20 0.38
HTR7 P34969 3/20 0.38
HTR2C P28335 1/20 0.38
ADRA2C P18825 3/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
HRH1 P35367 2/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL6925464 0.92 DRD2 (0.44) ITGB2ICAM1ITGALTDO2DRD2
SCHEMBL6927200 0.91 ITGB2 (0.45) ITGB2ICAM1ITGALPIK3C3DRD2
SCHEMBL7670455 0.90 LRRK2 (0.44) ITGB2ICAM1ITGALTDO2DRD2
SCHEMBL6927297 0.87 DRD2 (0.43) ITGB2ICAM1ITGALPIK3C3DRD2
SCHEMBL6925237 0.87 WNT1 (0.42) ITGB2ICAM1ITGALTDO2DRD2
SCHEMBL6923619 0.86 DRD3 (0.47) TDO2DRD2SLC6A4HTR2ADRD3
SCHEMBL6921203 0.86 METAP2 (0.40) ITGB2ICAM1ITGALTDO2DRD2
SCHEMBL6926804 0.85 TRPA1 (0.39) DRD2HTR2ADRD3DRD4HTR1A
SCHEMBL6924886 0.84 ITGB2 (0.43) ITGB2ICAM1ITGALPIK3C3DRD2
SCHEMBL6927128 0.83 TLR9 (0.48) TDO2WNT1GSK3BDYRK1A

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 ITGB2 4528/4885ICAM1 3898/4885ITGAL 4417/4885

“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.