SCHEMBL13896740

SCHEMBL13896740

Cc1cnc(C)c(OCCO)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ JAK3 P52333 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ APP P05067 8/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ LOX P28300 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ DHPS P49366 1/20 0.32

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
SCHEMBL13896724 0.81 MAPT (0.37) KMT2ATSHRCHRM1ALDH1A1
SCHEMBL19416375 0.81 TSHR (0.35) TSHRCHRM1
SCHEMBL13896742 0.78 MCHR1 (0.35) TSHR
SCHEMBL12409948 0.78 GRM5 (0.36) GAAKMT2ATSHRALDH1A1RECQL
SCHEMBL19416372 0.77 TSHR (0.33) TSHR
SCHEMBL19416374 0.74 MAPT (0.35) KMT2ATSHRALDH1A1
SCHEMBL13822591 0.73 KDM4E (0.32) KMT2AALDH1A1
SCHEMBL31538061 0.73 CCR4 (0.37) KMT2AJAK3ALDH1A1RECQL
SCHEMBL4497174 0.73 CCR4 (0.37) KMT2AJAK3ALDH1A1RECQL
SCHEMBL5720727 0.70 TSHR (0.70) GAAKMT2ATSHRALDH1A1RECQL

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 19 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
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 — — 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
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-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-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
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 — — US disclosed
WO-2012155199-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LIMITED (AU) 2012-11-22 — — WO disclosed
EP-2524912-A1 Amine derivatives Bionomics Limited (AU) 2012-11-21 — — EP 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 GAA 4016/4885THRB 1404/4885KMT2A 288/4885
US-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 GAA 4016/4885THRB 1404/4885KMT2A 288/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 GAA 4016/4885THRB 1404/4885KMT2A 288/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 GAA 4016/4885THRB 1404/4885KMT2A 288/4885

“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.

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