SCHEMBL4130161

SCHEMBL4130161

O=C(O)NCCN1CC2CN(CC(O)COc3ccc(F)cc3)CC(C1)O2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.56
TSHR P16473 1/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ABCB1 P08183 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP2D6 P10635 3/20 0.44
CACNA1G O43497 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4142281 0.90 KCNH2 (0.56) KCNH2MAPK1KDM4EPOLBL3MBTL1
SCHEMBL3605800 0.88 KCNH2 (0.72) KCNH2TSHRMAPK1KDM4EPOLB
SCHEMBL1619314 0.88 KCNH2 (0.72) KCNH2TSHRMAPK1KDM4EPOLB
SCHEMBL4134400 0.82 KCNH2 (0.67) KCNH2MAPK1KDM4EPOLBL3MBTL1
SCHEMBL4128937 0.82 KCNH2 (0.67) KCNH2MAPK1KDM4EPOLBL3MBTL1
SCHEMBL4134172 0.82 KCNH2 (0.66) KCNH2MAPK1KDM4EPOLBL3MBTL1
SCHEMBL4134243 0.81 KCNH2 (0.54) KCNH2TSHRMAPK1KDM4EPOLB
SCHEMBL4139906 0.81 KCNH2 (0.56) KCNH2TSHRMAPK1KDM4EPOLB
SCHEMBL1619251 0.80 KCNH2 (0.48) KCNH2TSHRMAPK1KDM4EPOLB
SCHEMBL1619266 0.79 KCNH2 (0.58) KCNH2MAPK1KDM4EPOLB

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 2 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

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 6/4885TSHR 1242/4885MAPK1 2427/4885

“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.