SCHEMBL3856947

SCHEMBL3856947

O=C(c1n[nH]c2ccc(F)cc12)N1CCN2CCC1C2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.50
CCNC P24863 3/20 0.48
CDK8 P49336 3/20 0.48
DYRK1A Q13627 8/20 0.45
AHR P35869 2/20 0.45
GSK3B P49841 4/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
CHRNA7 P36544 1/20 0.41
HTR3A P46098 1/20 0.41
WNT1 P04628 1/20 0.40

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 SCHEMBL3859271 0.99 RBP4 (0.49) RBP4CCNCCDK8DYRK1AAHR
SCHEMBL3856255 0.87 RBP4 (0.49) RBP4CCNCCDK8DYRK1AGSK3B
SCHEMBL1553493 0.85 CHRNA7 (0.56) RBP4CHRNA7HTR3A
SCHEMBL3861579 0.84 GSK3B (0.52) RBP4DYRK1AGSK3B
SCHEMBL17347601 0.84 RBP4 (0.48) RBP4CCNCCDK8DYRK1AAHR
Hydrochloric Acid SCHEMBL3855621 0.84 CHRNA7 (0.55) RBP4CHRNA7HTR3A
SCHEMBL3859303 0.81 GSK3B (0.37) RBP4CCNCCDK8DYRK1AGSK3B
SCHEMBL3859306 0.81 RBP4 (0.41) RBP4DYRK1AGSK3BCHRNA7HTR3A
SCHEMBL4529923 0.81 CCNC (0.42) RBP4CCNCCDK8DYRK1ACHRNA7
SCHEMBL3864878 0.80 MAPT (0.42) RBP4CHRNA7HTR3A

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 2730/4885CCNC 348/4885CDK8 2251/4885

“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.