SCHEMBL6921703

SCHEMBL6921703

OCCN1CCN(c2cc(-c3nc(-c4ccc(F)c(F)c4)c[nH]3)ccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.43
PIK3C3 Q8NEB9 1/20 0.41
KCNH2 Q12809 2/20 0.39
PIM1 P11309 2/20 0.38
TRPV3 Q8NET8 1/20 0.38
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
TNIK Q9UKE5 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AKT1 P31749 1/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
WNT3A P56704 1/20 0.36
JAK2 O60674 1/20 0.36
TYK2 P29597 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
SCHEMBL7670770 0.91 PIK3C3 (0.43) LRRK2PIK3C3PIM1TRPV3ROCK2
SCHEMBL7670455 0.91 LRRK2 (0.44) LRRK2PIM1ROCK2ROCK1ITGB2
SCHEMBL6927914 0.89 TRPV3 (0.43) LRRK2PIK3C3KCNH2TRPV3RPS6KB1
SCHEMBL6927205 0.88 KCNH2 (0.40) LRRK2PIK3C3KCNH2TRPV3ITGB2
SCHEMBL6924980 0.87 DRD2 (0.42) PIK3C3KCNH2RPS6KB1AKT1ITGB2
SCHEMBL6928153 0.86 LRRK2 (0.43) LRRK2PIK3C3PIM1ROCK2ROCK1
SCHEMBL6925150 0.86 WNT1 (0.42) LRRK2PIK3C3KCNH2TRPV3TLR9
SCHEMBL6924877 0.85 PIK3C3 (0.38) LRRK2PIK3C3KCNH2TRPV3RPS6KB1
SCHEMBL6925249 0.81 ITGB2 (0.49) PIK3C3ITGB2ICAM1ITGAL
SCHEMBL6927200 0.80 ITGB2 (0.45) LRRK2PIK3C3ITGB2ICAM1ITGAL

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 LRRK2 3243/4885PIK3C3 4567/4885KCNH2 3992/4885

“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.