SCHEMBL3754189

SCHEMBL3754189

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.38
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR2C P28335 1/20 0.35
DRD2 P14416 5/20 0.34
SIGMAR1 Q99720 3/20 0.34
DRD3 P35462 2/20 0.34
LMNA P02545 1/20 0.34
KCNH2 Q12809 1/20 0.34
LDHA P00338 1/20 0.33

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
SCHEMBL3761759 0.95 P2RX7 (0.35) P2RX7SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3391183 0.92 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3HTR2CKCNH2
SCHEMBL3762540 0.92 SLC6A2 (0.33) P2RX7SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL3391226 0.91 TACR1 (0.37) SLC6A2SLC6A4SLC6A3DRD2LDHA
SCHEMBL3391156 0.90 CCNK (0.34) P2RX7SLC6A2SLC6A4SLC6A3
SCHEMBL3392645 0.90 MEN1 (0.41) SIGMAR1
SCHEMBL3392797 0.90 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3HTR2CDRD2
SCHEMBL3759780 0.89 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3HTR2CDRD2
SCHEMBL3389467 0.88 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3DRD2KCNH2
SCHEMBL3389465 0.88 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3DRD2KCNH2

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 P2RX7 150/4885SLC6A2 1107/4885SLC6A4 1231/4885

“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.