SCHEMBL3666853

SCHEMBL3666853

COc1cc2c(cc1Br)CCN(C)CC2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.57
CYP3A4 P08684 1/20 0.57
DRD1 P21728 7/20 0.51
DRD2 P14416 3/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
DRD5 P21918 3/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ADCY2 Q08462 1/20 0.50
LMNA P02545 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR1B P28222 1/20 0.49

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
SCHEMBL16501316 0.86 DRD1 (0.54) CYP2D6CYP3A4DRD1DRD2DRD5
SCHEMBL3664910 0.84 DRD1 (0.71) CYP2D6CYP3A4DRD1DRD2CA1
SCHEMBL10345387 0.83 CYP2D6 (0.81) CYP2D6CYP3A4DRD1DRD2DRD5
Hydrochloric Acid SCHEMBL11406845 0.82 CYP2D6 (0.80) CYP2D6CYP3A4DRD1DRD2DRD5
SCHEMBL3665562 0.82 CA1 (0.53) CYP2D6CYP3A4DRD1DRD2CA1
SCHEMBL2569632 0.81 DRD1 (0.53) CYP2D6CYP3A4DRD1DRD2HSD17B10
SCHEMBL13900336 0.77 DRD1 (0.49) CYP2D6CYP3A4DRD1DRD2DRD5
SCHEMBL8769108 0.77 CYP2D6 (0.63) CYP2D6CYP3A4DRD1DRD2DRD5
SCHEMBL10414724 0.75 CA1 (0.53) CYP2D6CYP3A4CA1CA2CA9
SCHEMBL7611834 0.75 CA1 (0.46) CA1CA2CA9CA14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110300116-A1 Method for Generating a Recombinant Clonal Cell Line and Novel Reagents for Use in the Method CELLAURA TECHNOLOGIES LTD (GB) 2011-12-08 US disclosed
US-20110300116-A1 Method for Generating a Recombinant Clonal Cell Line and Novel Reagents for Use in the Method CELLAURA TECHNOLOGIES LTD (GB) 2011-12-08 US disclosed
EP-2238248-A2 A METHOD FOR GENERATING A RECOMBINANT CLONAL CELL LINE AND NOVEL REAGENTS FOR USE IN THE METHOD Cellaura Technologies LTD (GB) 2010-10-13 EP disclosed
WO-2009040555-A2 A METHOD FOR GENERATING A RECOMBINANT CLONAL CELL LINE AND NOVEL REAGENTS FOR USE IN THE METHOD CELLAURA TECHNOLOGIES LTD (GB) 2009-04-02 WO disclosed
WO-2009040555-A2 A METHOD FOR GENERATING A RECOMBINANT CLONAL CELL LINE AND NOVEL REAGENTS FOR USE IN THE METHOD CELLAURA TECHNOLOGIES LTD (GB) 2009-04-02 WO 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-20110300116-A1 Method for Generating a Recombinant Clonal Cell Line and Novel Reagents for Use in the Method HAVCR2, LDLR, ADGRF1 CYP2D6 4244/4885CYP3A4 4412/4885DRD1 3062/4885

“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.