SCHEMBL4125747

SCHEMBL4125747

N#Cc1ccc(CCN2CC3CN(CCNC(=O)O)CC(C2)O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.48
KCNJ1 P48048 4/20 0.48
CD274 Q9NZQ7 1/20 0.42
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
PKM P14618 1/20 0.38
FAAH O00519 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL2967590 0.92 KCNH2 (0.44) KCNH2KCNJ1CD274DRD2DRD3
SCHEMBL1619458 0.91 FAAH (0.46) KCNH2CD274DRD2DRD3PKM
SCHEMBL4669235 0.89 KCNH2 (0.44) KCNH2KCNJ1CD274DRD2DRD3
SCHEMBL5318987 0.89 CD274 (0.56) KCNH2KCNJ1CD274DRD2DRD3
SCHEMBL5316212 0.89 KCNH2 (0.46) KCNH2KCNJ1CD274DRD2DRD3
SCHEMBL5316942 0.87 LTA4H (0.46) KCNH2KCNJ1L3MBTL1FAAH
SCHEMBL5318392 0.86 CD274 (0.58) KCNH2CD274DRD2DRD3
SCHEMBL5317478 0.86 CCR3 (0.54) CD274DRD2DRD3
SCHEMBL4668152 0.86 KCNH2 (0.44) KCNH2CD274DRD2DRD3L3MBTL1
SCHEMBL5314521 0.86 POLB (0.46) KCNH2CD274DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US claimed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 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 (1 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-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 6/4885KCNJ1 65/4885CD274 1743/4885

“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.