SCHEMBL3285199

SCHEMBL3285199

O=c1c(Br)nn(CCCC2CCCCC2)c(=O)n1CCCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.41
MAPT P10636 1/20 0.36
ADORA2A P29274 3/20 0.34
ADORA2B P29275 2/20 0.34
OPRK1 P41145 2/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
CYP1A2 P05177 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL3286582 0.91 CTSK (0.37) CTSKMAPTADORA2AADORA2BAGTR1
SCHEMBL3285814 0.78 CTSK (0.60) CTSKADORA2AADORA2BCNR2
SCHEMBL9392791 0.66 ADORA2B (0.58) ADORA2AADORA2BCYP1A2
SCHEMBL17835296 0.63 MAPT (0.42) MAPTCYP1A2
SCHEMBL25278231 0.61 CTSK (0.48) CTSKMAPTCNR2
SCHEMBL13625665 0.61 ACHE (0.40) CYP1A2
SCHEMBL6047958 0.59 CYP1A2 (0.50) MAPTOPRK1CYP1A2
SCHEMBL9190697 0.59 SIGMAR1 (0.70) MAPTCYP1A2
SCHEMBL10579794 0.59 CYP1A2 (0.68) CYP1A2
SCHEMBL5614191 0.59 SIGMAR1 (0.70) MAPTCYP1A2

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-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 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-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy CBR3, NOX3, RTN3 CTSK 4406/4885MAPT 4269/4885ADORA2A 2196/4885

“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.