SCHEMBL3205446

SCHEMBL3205446

COc1ccc(CN2C(=O)C=C(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
APLNR P35414 1/20 0.40
RGS4 P49798 1/20 0.39
RAD51 Q06609 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL3213620 0.85 GSK3A (0.50) RGS4RAD51MEN1KMT2AALDH1A1
SCHEMBL3203979 0.84 KMT2A (0.45) APLNRRGS4MEN1KMT2AALDH1A1
SCHEMBL3201920 0.76 APLNR (0.48) HTR2AAPLNRRGS4MEN1KMT2A
SCHEMBL5432840 0.75 MAPT (0.54) APLNRMEN1KMT2AALDH1A1MAPT
SCHEMBL11000239 0.74 RGS4 (0.44) RGS4MEN1KMT2AALDH1A1MAPT
SCHEMBL14519814 0.73 NR3C2 (0.41) APLNRMEN1KMT2AALDH1A1MAPT
SCHEMBL13486597 0.72 GSK3A (0.58) APLNRMEN1KMT2AALDH1A1MAPT
SCHEMBL19577090 0.71 APLNR (0.54) APLNRMEN1KMT2AALDH1A1MAPT
SCHEMBL22616743 0.70 APLNR (0.53) HTR2AAPLNRMEN1KMT2AALDH1A1
SCHEMBL9387548 0.69 RAB9A (0.60) APLNRMEN1KMT2AKDM4EPOLB

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-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 HTR2A 122/4885SLC6A4 10/4885KCNH2 479/4885

“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.