SCHEMBL1619495

SCHEMBL1619495

N#Cc1ccc(OCCO)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.44
HRH3 Q9Y5N1 1/20 0.43
USP30 Q70CQ3 1/20 0.41
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 3/20 0.40
AR P10275 2/20 0.40
CYP19A1 P11511 2/20 0.40
ICMT O60725 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
SLC6A9 P48067 1/20 0.38
IDO1 P14902 1/20 0.37
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL3125585 0.92 HRH3 (0.42) PTGDR2HRH3USP30CYP11B1CYP11B2
SCHEMBL22781839 0.87 CYP19A1 (0.43) PTGDR2HRH3CYP11B1CYP11B2AR
SCHEMBL30232819 0.86 PTGDR2 (0.43) PTGDR2HRH3USP30CYP11B1CYP11B2
SCHEMBL29577607 0.84 PTGDR2 (0.48) PTGDR2CYP11B1CYP11B2ARCYP19A1
SCHEMBL1714334 0.83 HRH3 (0.43) PTGDR2HRH3USP30CYP11B1CYP11B2
SCHEMBL9969445 0.83 SLC6A9 (0.47) PTGDR2HRH3USP30CYP11B1AR
SCHEMBL3119850 0.83 HRH3 (0.40) PTGDR2HRH3USP30CYP11B1CYP11B2
SCHEMBL5314540 0.83 HRH3 (0.40) PTGDR2HRH3USP30CYP11B1CYP11B2
SCHEMBL12460722 0.83 HRH3 (0.43) PTGDR2HRH3USP30CYP11B1CYP11B2
SCHEMBL3121798 0.82 HRH3 (0.42) PTGDR2HRH3USP30CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US disclosed
US-20100222335-A1 Process For The Preparation Of N,N'-Disubstituted Oxabispidines ASTRAZENECA AB (SE) 2010-09-02 US disclosed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US disclosed
CN-101243093-A New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-08-13 CN disclosed
CN-101203521-A Process for the preparation of N,N'-disubstituted oxabispidines ASTRAZENECA AB (SE) 2008-06-18 CN disclosed
EP-1915380-A1 PROCESS FOR THE PREPARATION OF N,N´- DISUBSTITUTED OXABISPIDINES AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2006137770-A1 PROCESS FOR THE PREPARATION OF N,N´- DISUBSTITUTED OXABISPIDINES ASTRAZENECA AB (SE) 2006-12-28 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-20100222335-A1 Process For The Preparation Of N,N'-Disubstituted Oxabispidines ADH1C, ADH5, ADH1A PTGDR2 934/4885HRH3 494/4885USP30 3797/4885
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E PTGDR2 1553/4885HRH3 448/4885USP30 3818/4885

“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.