SCHEMBL6093112

SCHEMBL6093112

Cc1noc(C)c1NC(=O)N1CC2CN(CCOc3ccc(C#N)cc3C#N)CC2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
PDGFRB P09619 10/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
P2RY12 Q9H244 1/20 0.36
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
CCR5 P51681 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6095515 0.88 KCNA5 (0.45) USP2MAPK1SMN1; SMN2HIF1AALOX15
SCHEMBL6097401 0.81 CHRNA7 (0.41) PDGFRB
SCHEMBL6095378 0.80 XDH (0.39) PDGFRBMAPK1SMN1; SMN2CCR5
SCHEMBL6093498 0.80 GRIN2B (0.57) PDGFRB
SCHEMBL6094447 0.78 ALDH1A1 (0.43)
SCHEMBL6199791 0.78 USP30 (0.43)
SCHEMBL6093289 0.78 CHRNA7 (0.40) PDGFRB
SCHEMBL6093573 0.78 GRIN2B (0.43) PDGFRBP2RY12
SCHEMBL6094831 0.78 GRIN2B (0.38) CYP1A2CYP3A4TSHRP2RY12USP2
SCHEMBL6095115 0.77 KCNH2 (0.47) TSHRUSP2MAPK1SMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144914-B2 3,7-diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-05 US disclosed
EP-1360187-B1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-03-18 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-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias KCNH1, KCNH2, CACNA1E BRD4 2957/4885BRD2 3538/4885BRD3 2223/4885

“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.