SCHEMBL14707609

SCHEMBL14707609

[2H]C1([2H])NC(N)=N[C@]12CCc1cccc(Br)c1C2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL7929450 0.87 ADRA2A (0.42) ADRA2ATAAR1ADRA2BADRA2CADRA1D
SCHEMBL7922106 0.79 TAAR1 (0.34) ADRA2ATAAR1
SCHEMBL14707611 0.79 ADRA2A (0.37) ADRA2ATAAR1ADRA2BADRA2CADRA1D
SCHEMBL12203774 0.77 ADRA2A (0.55) ADRA2ATAAR1ADRA2BADRA2CADRA1D
SCHEMBL14707610 0.75 KDM4E (0.35)
SCHEMBL7917546 0.74 TAAR1 (0.72) ADRA2ATAAR1ADRA2BADRA2CADRA1D
SCHEMBL7929405 0.71 ADRA2A (0.36) ADRA2ATAAR1
SCHEMBL7918652 0.68 ADRA2A (0.51) ADRA2ATAAR1ADRA2BADRA2CADRA1D
SCHEMBL7922771 0.68 TAAR1 (0.33) ADRA2ATAAR1
SCHEMBL7927693 0.68 PRCP (0.42) ADRA2ATAAR1ADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP (US) 2013-02-21 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-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A ADRA2A 3/4885TAAR1 162/4885ADRA2B 5/4885

“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.