SCHEMBL13860993

SCHEMBL13860993

CCS(=O)(=O)c1cccc(N(C)C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.44
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
BRD4 O60885 1/20 0.36
CNR2 P34972 7/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL16225181 0.89 PNMT (0.38) ALDH1A1KDM4EMEN1KMT2AHTR2A
SCHEMBL1238865 0.78 CA2 (0.47) ALDH1A1KDM4EMEN1KMT2ACA12
SCHEMBL17263850 0.74 PSIP1 (0.68) PSIP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL24054526 0.72 ACHE (0.42) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL16225167 0.71 PTGS2 (0.34)
SCHEMBL30878792 0.71 JAK1 (0.38)
SCHEMBL1419786 0.70 ALDH1A1 (0.39) ALDH1A1HTR2AHTR2C
SCHEMBL24054689 0.70 CYP3A4 (0.41) ALDH1A1KDM4EMEN1KMT2ACA12
SCHEMBL28783783 0.70 HTR3E (0.47) HTR2AHTR2C
SCHEMBL4365727 0.70 HTR2A (0.40) KMT2AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS MERCK PATENT GMBH (DE) 2018-09-27 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
EP-2709985-B1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LTD (AU) 2017-10-04 EP disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
CN-103781763-B Amine derivatives as potassium channel blockers 生态学有限公司 2017-03-22 CN disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
EP-2709985-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS Bionomics Limited (AU) 2014-03-26 EP disclosed
WO-2012155199-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LIMITED (AU) 2012-11-22 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 (4 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 PSIP1 3347/4885ALDH1A1 3267/4885KDM4E 286/4885
US-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 PSIP1 3347/4885ALDH1A1 3267/4885KDM4E 286/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 PSIP1 3347/4885ALDH1A1 3267/4885KDM4E 286/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 PSIP1 3347/4885ALDH1A1 3267/4885KDM4E 286/4885

“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.