SCHEMBL3759780

SCHEMBL3759780

COc1c(Cl)c(C)c(C(C)=O)c(OCCN2CCC(O)CC2)c1OCCC(C)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
DRD2 P14416 4/20 0.38
HTR1A P08908 7/20 0.37
HTR7 P34969 7/20 0.37
HTR2A P28223 4/20 0.34
GRM2 Q14416 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
HRH2 P25021 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL3392797 0.94 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3DRD2HTR1A
SCHEMBL3389467 0.92 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3DRD2HTR1A
SCHEMBL3389465 0.92 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3DRD2HTR1A
SCHEMBL3391183 0.91 ALDH1A1 (0.38) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL3391226 0.90 TACR1 (0.37) SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL3754189 0.89 P2RX7 (0.38) SLC6A4SLC6A2SLC6A3DRD2HTR2C
SCHEMBL3392645 0.89 MEN1 (0.41) HTR1A
SCHEMBL3762540 0.87 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL3761759 0.86 P2RX7 (0.35) SLC6A4SLC6A2SLC6A3DRD2HTR2C
SCHEMBL3389006 0.85 POLB (0.42) HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US claimed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US claimed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
WO-2009043117-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-04-09 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-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNH3 SLC6A4 1231/4885SLC6A2 1107/4885SLC6A3 395/4885

“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.