SCHEMBL6609217

SCHEMBL6609217

CC(C)(C)OC(=O)N1CC2CN(Cc3ccccc3)CC(C1)C2O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.50
KCNK9 Q9NPC2 3/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
FUCA1 P04066 2/20 0.48
GPR119 Q8TDV5 2/20 0.46
NR1H2 P55055 1/20 0.46
STS P08842 1/20 0.45
NAMPT P43490 1/20 0.45
RORC P51449 1/20 0.44
GRIN2B Q13224 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 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
SCHEMBL649847 0.94 KCNK3 (0.55) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL584450 0.94 KCNK3 (0.55) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL16053284 0.94 KCNK3 (0.55) KCNK3KCNK9JAK2JAK1GPR119
Hydrochloric Acid SCHEMBL6095348 0.92 KCNK3 (0.54) KCNK3KCNK9JAK2JAK1GPR119
Hydrochloric Acid SCHEMBL6093599 0.92 KCNK3 (0.54) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL16376097 0.86 KCNK3 (0.56) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL3642479 0.85 JAK2 (0.56) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL3335624 0.85 JAK2 (0.62) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL16963755 0.85 JAK2 (0.56) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL8056077 0.85 JAK2 (0.58) JAK2JAK1GPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 US disclosed
EP-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
US-6492382-B1 Dried or frozen pharmaceutical preparation containing a class III antiarrhythmic compound ASTRAZENECA AB (SE) 2002-12-10 US disclosed
EP-1192154-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed
WO-2000076999-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed
EP-1043997-A1 A DRIED OR FROZEN PHARMACEUTICAL PREPARATION CONTAINING A CLASS III ANTIARRHYTHMIC COMPOUND AstraZeneca AB (SE) 2000-10-18 EP disclosed
WO-2000021533-A1 A DRIED OR FROZEN PHARMACEUTICAL PREPARATION CONTAINING A CLASS III ANTIARRHYTHMIC COMPOUND ASTRAZENECA AB (SE) 2000-04-20 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 (2 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D KCNK3 235/4885KCNK9 153/4885JAK2 3252/4885
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R KCNK3 1025/4885KCNK9 1041/4885JAK2 1058/4885

“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.