SCHEMBL2179401

SCHEMBL2179401

CC(=O)c1c(OCCN2CCCC(F)(F)C2)c(OCCC(C)c2ccc(F)cc2)c2oc(C)nc2c1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
DHODH Q02127 1/20 0.31
DRD2 P14416 1/20 0.31
P2RX7 Q99572 2/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 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
SCHEMBL2179633 0.93 DRD2 (0.32) CCNKCDK12DHODHDRD2SLC6A2
SCHEMBL2180251 0.88 SIGMAR1 (0.39)
SCHEMBL12409214 0.87 DRD2 (0.32) DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL2179215 0.86 SLC6A2 (0.30) DHODHSLC6A2SLC6A4SLC6A3
SCHEMBL2179920 0.85
SCHEMBL12409161 0.84 SLC6A2 (0.32) CCNKCDK12SLC6A2SLC6A4SLC6A3
SCHEMBL2179615 0.84 KCNA3 (0.32)
SCHEMBL2178490 0.83 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL12409129 0.83 LDHA (0.32) DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL3391156 0.82 CCNK (0.34) CCNKCDK12P2RX7SLC6A2SLC6A4

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-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-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
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US 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 CCNK 3253/4885CDK12 4397/4885DHODH 2590/4885

“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.