SCHEMBL3663433

SCHEMBL3663433

COc1ccc2c(c1)C(c1ccc(N)cc1)CN(C)CC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 10/20 0.65
DRD2 P14416 3/20 0.59
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
HTR2A P28223 1/20 0.52
SIGMAR1 Q99720 2/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
DRD5 P21918 1/20 0.49
DRD3 P35462 1/20 0.49
MAPK1 P28482 1/20 0.47
THPO P40225 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MTOR P42345 1/20 0.47

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
SCHEMBL18085059 0.87 SLC6A2 (0.76) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL11393016 0.87 SLC6A2 (0.76) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL16501318 0.83 DRD1 (0.70) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL3665562 0.82 CA1 (0.53) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL16508939 0.82 DRD1 (0.76) DRD1DRD2CYP3A4CYP2D6HTR2A
SCHEMBL3664910 0.80 DRD1 (0.71) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL10934400 0.79 DRD1 (1.00) DRD1DRD2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL11805015 0.79 SLC6A4 (0.74) SLC6A2SLC6A4SLC6A3
SCHEMBL9405364 0.78 DRD1 (0.59) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL12151317 0.77 DRD1 (0.58) DRD1DRD2SLC6A2SLC6A4SLC6A3

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 2472/4885SLC6A2 4010/4885

“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.