SCHEMBL6927949

SCHEMBL6927949

OCCC1CCN(c2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)c[nH]3)ccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 9/20 0.45
ICAM1 P05362 9/20 0.45
ITGAL P20701 9/20 0.45
RXRA P19793 1/20 0.37
NMT1 P30419 5/20 0.35
AR P10275 1/20 0.35
MAPT P10636 1/20 0.35
DGAT1 O75907 1/20 0.35
KCNH2 Q12809 1/20 0.35
CNR2 P34972 1/20 0.34
PTPN11 Q06124 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
SCHEMBL6921878 0.88 CNR2 (0.45) ITGB2ICAM1ITGALMAPTDGAT1
SCHEMBL6927498 0.88 ITGB2 (0.41) ITGB2ICAM1ITGALNMT1AR
SCHEMBL6928153 0.84 LRRK2 (0.43) MAPTPTPN11
SCHEMBL6923588 0.83 PIK3C3 (0.40) NMT1CNR2PTPN11
SCHEMBL6927037 0.83 ITGB2 (0.42) ITGB2ICAM1ITGAL
SCHEMBL6925290 0.83 ITGB2 (0.41) ITGB2ICAM1ITGALRXRA
SCHEMBL6927892 0.81 DYRK1A (0.49) NMT1
SCHEMBL6925881 0.80 PIK3C3 (0.42) NMT1CNR2PTPN11
SCHEMBL6925431 0.79 ITGB2 (0.45) ITGB2ICAM1ITGALPTPN11
SCHEMBL6926271 0.78 TLR9 (0.45) NMT1CNR2

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 7 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
WO-2000066578-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY PFIZER PRODUCTS INC. (US) 2000-11-09 WO 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
WO-2000066578-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY PFIZER PRODUCTS INC. (US) 2000-11-09 WO 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.