SCHEMBL3665562

SCHEMBL3665562

COc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)CN(C)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
DRD1 P21728 5/20 0.47
HTR2A P28223 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
DRD2 P14416 1/20 0.44
DRD5 P21918 1/20 0.44

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
SCHEMBL2569632 0.88 DRD1 (0.53) CYP3A4CYP2D6DRD1HTR2ADRD2
SCHEMBL3663433 0.82 DRD1 (0.65) CA1CA2CA9CA14SLC6A2
SCHEMBL11393016 0.82 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL18085059 0.82 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL3666853 0.82 CYP2D6 (0.57) CA1CA2CA9CA14SLC6A2
SCHEMBL2566550 0.81 DRD1 (0.58) CYP3A4CYP2D6DRD1HTR2AMEN1
Hydrochloric Acid SCHEMBL11797561 0.81 SLC6A4 (0.67) CA1CA2CA9CA14SLC6A2
SCHEMBL16501316 0.78 DRD1 (0.54) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL10414724 0.73 CA1 (0.53) CA1CA2CA9CA14CYP3A4
SCHEMBL9405364 0.73 DRD1 (0.59) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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 4 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

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 CA1 3212/4885CA2 4023/4885CA9 4342/4885

“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.