SCHEMBL16232115

SCHEMBL16232115

Cc1ccc(C(N)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
TDP1 Q9NUW8 5/20 0.42
ACHE P22303 3/20 0.42
ALOX5 P09917 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40
CA7 P43166 1/20 0.40
DPP4 P27487 2/20 0.38
ADRB2 P07550 1/20 0.37
RECQL P46063 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL16232131 1.00 CHRNA7 (0.42) CHRNA7TDP1ACHEALOX5MAOA
SCHEMBL16232132 1.00 CHRNA7 (0.42) CHRNA7TDP1ACHEALOX5MAOA
SCHEMBL3271282 0.89 DPP4 (0.45) TDP1DPP4ADRB2RECQLKDM4E
SCHEMBL12569051 0.86 ACHE (0.50) CHRNA7TDP1ACHEALOX5MAOA
SCHEMBL3253749 0.86 ACHE (0.50) CHRNA7TDP1ACHEALOX5MAOA
SCHEMBL24017147 0.86 ACHE (0.50) CHRNA7TDP1ACHEALOX5MAOA
SCHEMBL3258924 0.86 ACHE (0.50) CHRNA7TDP1ACHEALOX5MAOA
SCHEMBL11085901 0.84 CHRNA7 (0.42) CHRNA7TDP1ACHEALOX5MAOA
Hydrochloric Acid SCHEMBL17137911 0.83 DPP4 (0.48) CHRNA7TDP1ACHEALOX5MAOA
Hydrochloric Acid SCHEMBL30098282 0.83 DPP4 (0.48) CHRNA7TDP1ACHEALOX5MAOA

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-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-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

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 CHRNA7 190/4885TDP1 1900/4885ACHE 712/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 CHRNA7 190/4885TDP1 1900/4885ACHE 712/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 CHRNA7 190/4885TDP1 1900/4885ACHE 712/4885

“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.