SCHEMBL3213620

SCHEMBL3213620

COc1ccc(CN2C(=O)C=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
RGS4 P49798 1/20 0.49
CMA1 P23946 1/20 0.49
CHRM5 P08912 2/20 0.48
RAD51 Q06609 1/20 0.45
CASP3 P42574 2/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PARK7 Q99497 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
APAF1 O14727 1/20 0.40
GAA P10253 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL3205446 0.85 HTR2A (0.43) RGS4RAD51KDM4EMAPTMEN1
SCHEMBL2644212 0.82 RGS4 (0.64) GSK3AGSK3BRGS4CMA1CHRM5
SCHEMBL11000239 0.78 RGS4 (0.44) RGS4KDM4EMAPTMEN1KMT2A
SCHEMBL2643077 0.74 GSK3A (0.63) GSK3AGSK3BCMA1CHRM5CASP3
SCHEMBL3201607 0.73 RGS4 (0.64) GSK3AGSK3BRGS4CMA1CHRM5
SCHEMBL28170522 0.72 GSK3A (0.59) GSK3AGSK3BCMA1CHRM5CASP3
SCHEMBL17278181 0.70 GSK3A (0.58) GSK3AGSK3BCMA1CHRM5CASP3
SCHEMBL11000171 0.70 AHR (0.43) RGS4RAD51KDM4EMAPTMEN1
SCHEMBL8331785 0.70 CMA1 (0.70) GSK3AGSK3BCMA1CHRM5CASP3
SCHEMBL2092168 0.69 AHR (0.61) RAD51CASP3ALDH1A1SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029740-A1 AZABICYCLIC COMPOUNDS AS SEROTONIN, DOPAMINE AND NOREPINEPHRINE RE-UPTAKE INHIBITORS BONANOMI GIORGIO 2010-02-04 US disclosed
US-20100029740-A1 AZABICYCLIC COMPOUNDS AS SEROTONIN, DOPAMINE AND NOREPINEPHRINE RE-UPTAKE INHIBITORS BONANOMI GIORGIO 2010-02-04 US disclosed
US-20100029740-A1 AZABICYCLIC COMPOUNDS AS SEROTONIN, DOPAMINE AND NOREPINEPHRINE RE-UPTAKE INHIBITORS BONANOMI GIORGIO 2010-02-04 US disclosed
EP-2094657-A1 AZABICYCLIC COMPOUNDS AS SEROTONINE, DOPAMINE AND NOREPINEPHRINE RE-UPTAKE INHIBITORS Glaxo Group Limited (GB) 2009-09-02 EP disclosed
WO-2008074716-A1 AZABICYCLIC COMPOUNDS AS SEROTONINE, DOPAMINE AND NOREPINEPHRINE RE-UPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074716-A1 AZABICYCLIC COMPOUNDS AS SEROTONINE, DOPAMINE AND NOREPINEPHRINE RE-UPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-06-26 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-20100029740-A1 AZABICYCLIC COMPOUNDS AS SEROTONIN, DOPAMINE AND NOREPINEPHRINE RE-UPTAKE INHIBITORS SLC6A2, SLC6A3, ADRA2C GSK3A 2113/4885GSK3B 1635/4885RGS4 1197/4885

“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.