SCHEMBL3664910

SCHEMBL3664910

COc1cc2c(cc1Br)CCN(C)CC2c1ccc(N)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 12/20 0.71
DRD2 P14416 3/20 0.71
CYP2D6 P10635 2/20 0.63
CYP3A4 P08684 1/20 0.63
DRD5 P21918 4/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP1A2 P05177 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
ADCY2 Q08462 1/20 0.55
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
SLC6A4 P31645 1/20 0.54

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
SCHEMBL10345387 0.88 CYP2D6 (0.81) DRD1DRD2CYP2D6CYP3A4DRD5
Hydrochloric Acid SCHEMBL11406845 0.87 CYP2D6 (0.80) DRD1DRD2CYP2D6CYP3A4DRD5
SCHEMBL16501317 0.84 DRD1 (0.76) DRD1DRD2CYP2D6CYP3A4DRD5
SCHEMBL3666853 0.84 CYP2D6 (0.57) DRD1DRD2CYP2D6CYP3A4DRD5
SCHEMBL3663433 0.80 DRD1 (0.65) DRD1DRD2CYP2D6CYP3A4DRD5
SCHEMBL8769108 0.79 CYP2D6 (0.63) DRD1DRD2CYP2D6CYP3A4DRD5
Trepipam SCHEMBL11704977 0.78 CYP2D6 (1.00) DRD1DRD2CYP2D6CYP3A4DRD5
Trepipam SCHEMBL29374758 0.78 CYP2D6 (1.00) DRD1DRD2CYP2D6CYP3A4DRD5
SCHEMBL16501318 0.75 DRD1 (0.70) DRD1DRD2CYP2D6CYP3A4HSD17B10
SCHEMBL8768836 0.74 CYP2D6 (0.63) DRD1DRD2CYP2D6CYP3A4DRD5

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 DRD1 3062/4885DRD2 2472/4885CYP2D6 4244/4885

“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.