SCHEMBL12409015

SCHEMBL12409015

COC1CN(C2CCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.34
SIGMAR1 Q99720 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCB1 P08183 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CHRM3 P20309 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL17665915 0.98 HRH3 (0.36) HRH3SIGMAR1NPC1RAB9AKMT2A
SCHEMBL26823952 0.95 HRH3 (0.34) HRH3NPC1RAB9AKMT2AIRAK4
SCHEMBL24921073 0.90
SCHEMBL26619666 0.85 IRAK4 (0.35) HRH3IRAK4
SCHEMBL26619663 0.82 DPP4 (0.35) HRH3DPP4
SCHEMBL17660501 0.82 HRH3 (0.40) HRH3SIGMAR1NPC1RAB9AKMT2A
SCHEMBL25921408 0.81 KDM4E (0.33) KMT2AIRAK4KDM4E
SCHEMBL25921366 0.81 KDM4E (0.33) KMT2AIRAK4KDM4E
SCHEMBL24718088 0.81 KDM4E (0.33) KMT2AIRAK4KDM4E
SCHEMBL24883291 0.81 OPRK1 (0.35) HRH3NPC1RAB9AKMT2AOPRK1

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-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
WO-2009149508-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-17 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-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 HRH3 711/4885SIGMAR1 3806/4885NPC1 1544/4885

“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.