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SCHEMBL2178490

SCHEMBL2178490

CC(=O)c1c(OCCN2CCCCC2)c(OCCC(C)c2ccc(F)cc2)c2oc(C)nc2c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ PSMB1 P20618 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ SLC6A4 P31645 3/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ LDHA P00338 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ LTA4H P09960 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL12409106 0.94 SLC6A2 (0.36) ALDH1A1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL2178870 0.93 LDHA (0.35) SLC6A4SLC6A2SLC6A3HTR2ALDHA
SCHEMBL2179289 0.93 MEN1 (0.39) ALDH1A1HTR2AACACBMEN1KMT2A
SCHEMBL12409089 0.92 SLC6A2 (0.34) SLC6A4SLC6A2SLC6A3LDHA
SCHEMBL2177803 0.91 SLC6A2 (0.38) ALDH1A1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL2179602 0.91 DRD2 (0.37) SLC6A4SLC6A2SLC6A3HTR2ALDHA
SCHEMBL2179307 0.91 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3LDHA
SCHEMBL2179633 0.91 DRD2 (0.32) SLC6A4SLC6A2SLC6A3LDHAHRH3
SCHEMBL2179513 0.91 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3LDHA
SCHEMBL12409214 0.90 DRD2 (0.32) SLC6A4SLC6A2SLC6A3

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 7 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
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 ALDH1A1 4002/4885PSMB1 1334/4885PSMB5 496/4885

“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.