SCHEMBL3856372

SCHEMBL3856372

O=C(c1n[nH]c2cc(Cl)ccc12)N1CCN2CCC1C2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.49
EIF4A3 P38919 1/20 0.46
CHRNA7 P36544 1/20 0.41
HTR3A P46098 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K4 P45985 2/20 0.39
UGCG Q16739 4/20 0.38
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
GSK3B P49841 2/20 0.37

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
Bromide SCHEMBL3857615 0.99 RBP4 (0.48) RBP4EIF4A3CHRNA7HTR3AMAPT
SCHEMBL17347514 0.93 RBP4 (0.47) RBP4EIF4A3CHRNA7HTR3AMAPT
SCHEMBL3856255 0.91 RBP4 (0.49) RBP4EIF4A3CHRNA7HTR3AMAPT
SCHEMBL3864878 0.87 MAPT (0.42) RBP4EIF4A3CHRNA7HTR3AMAPT
Bromide SCHEMBL3862357 0.86 MAPT (0.41) RBP4EIF4A3CHRNA7HTR3AMAPT
SCHEMBL1553493 0.85 CHRNA7 (0.56) RBP4EIF4A3CHRNA7HTR3AMAPT
Hydrochloric Acid SCHEMBL3855621 0.84 CHRNA7 (0.55) RBP4EIF4A3CHRNA7HTR3AMAPT
SCHEMBL12715360 0.81 CHRNA7 (0.41) RBP4EIF4A3CHRNA7HTR3AUGCG
SCHEMBL3856947 0.80 RBP4 (0.50) RBP4CHRNA7HTR3ACCNCCDK8
SCHEMBL17347536 0.80 MAPT (0.42) RBP4EIF4A3CHRNA7HTR3AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589201-B2 Derivatives of 1,4-diazabicyclo[3.2.1]octanecarboxamide, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-15 US claimed
US-20070155749-A1 DERIVATIVES OF 1,4-DIAZABICYCLO[3.2.1]OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-07-05 US claimed

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-20070155749-A1 DERIVATIVES OF 1,4-DIAZABICYCLO[3.2.1]OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS CNR1, CNR2, NPY1R RBP4 2730/4885EIF4A3 2153/4885CHRNA7 1666/4885

“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.