SCHEMBL6739802

SCHEMBL6739802

CCOC(=O)Cn1ncc(-c2ccc(C#N)cc2)c1-c1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
S1PR1 P21453 1/20 0.46
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.42
CYP11B1 P15538 1/20 0.41
TSHR P16473 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL10401441 0.95 SMN1; SMN2 (0.63) CYP11B2SMN1; SMN2S1PR1KDM4EALDH1A1
SCHEMBL9877800 0.84 SMN1; SMN2 (0.58) SMN1; SMN2S1PR1KDM4EALDH1A1HSD17B10
SCHEMBL9877095 0.83 SMN1; SMN2 (0.76) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL9877279 0.81 SMN1; SMN2 (0.68) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL9877383 0.80 SMN1; SMN2 (0.67) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL9877275 0.80 SMN1; SMN2 (0.67) SMN1; SMN2S1PR1KDM4EALDH1A1HSD17B10
SCHEMBL9878548 0.80 SMN1; SMN2 (0.67) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL10413532 0.79 MAPK14 (0.59) SMN1; SMN2S1PR1KDM4EALDH1A1HSD17B10
SCHEMBL9877360 0.79 SMN1; SMN2 (0.65) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL10401498 0.78 SMN1; SMN2 (0.64) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR

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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 US disclosed
WO-2000077000-A9 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2003-06-19 WO disclosed
EP-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D CYP11B2 253/4885SMN1; SMN2 4451/4885S1PR1 904/4885

“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.