SCHEMBL16232154

SCHEMBL16232154

O=C(Cl)[C@@H]1C[C@H]1c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.60
HRH3 Q9Y5N1 2/20 0.51
KDM1A O60341 2/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
AR P10275 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
SLC6A4 P31645 2/20 0.44
HTR2B P41595 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL12765396 1.00 SLC9A1 (0.60) SLC9A1HRH3KDM1AMAPTGAA
SCHEMBL17189659 0.84 SLC9A1 (0.65) SLC9A1HRH3KDM1AMAPTGAA
SCHEMBL1839151 0.84 SLC9A1 (0.60) SLC9A1HRH3KDM1AMAPTGAA
SCHEMBL1839154 0.84 SLC9A1 (0.60) SLC9A1HRH3KDM1AMAPTGAA
SCHEMBL1019425 0.84 SLC9A1 (0.60) SLC9A1HRH3KDM1AMAPTGAA
SCHEMBL4209759 0.84 SLC9A1 (0.60) SLC9A1HRH3KDM1AMAPTGAA
SCHEMBL11902437 0.84 SLC9A1 (0.60) SLC9A1HRH3KDM1AMAPTGAA
SCHEMBL13976000 0.84 SLC9A1 (0.65) SLC9A1HRH3KDM1AMAPTGAA
SCHEMBL14550059 0.84 SLC9A1 (0.60) SLC9A1HRH3KDM1AMAPTGAA
SCHEMBL4069634 0.82 SLC9A1 (0.68) SLC9A1HRH3KDM1AMAPTGAA

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-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US 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-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
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 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 (3 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 SLC9A1 226/4885HRH3 176/4885KDM1A 285/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 SLC9A1 226/4885HRH3 176/4885KDM1A 285/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 SLC9A1 226/4885HRH3 176/4885KDM1A 285/4885

“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.