SCHEMBL7787688

SCHEMBL7787688

Cc1c(C[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc2ncccn12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 10/20 0.44
KCNK9 Q9NPC2 10/20 0.44
PDE8B O95263 1/20 0.40
PRMT5 O14744 1/20 0.40
HCRTR2 O43614 5/20 0.39
KDM1A O60341 1/20 0.39
METTL3 Q86U44 1/20 0.39
CHEK2 O96017 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
SCHEMBL2124328 0.83 METTL3 (0.49) KCNK3KCNK9PDE8BPRMT5HCRTR2
SCHEMBL2512520 0.83 PDE8B (0.42) PDE8BPRMT5HCRTR2KDM1AMETTL3
SCHEMBL86137 0.83 PDE8B (0.42) PDE8BPRMT5HCRTR2KDM1AMETTL3
SCHEMBL2120886 0.81 PDE8B (0.41) PDE8BPRMT5HCRTR2KDM1AMETTL3
SCHEMBL7797391 0.80 KDM4E (0.44) KCNK3KCNK9PDE8BPRMT5HCRTR2
SCHEMBL12225863 0.78 PDE8B (0.43) PDE8BPRMT5HCRTR2KDM1AMETTL3
SCHEMBL7856604 0.77 KDM1A (0.40) PDE8BPRMT5HCRTR2KDM1AMETTL3
SCHEMBL311516 0.76 PDE8B (0.40) PDE8BPRMT5HCRTR2KDM1AMETTL3
SCHEMBL2124396 0.76 PDE8B (0.41) PDE8BPRMT5HCRTR2KDM1AMETTL3
SCHEMBL2517432 0.76 PDE8B (0.41) PDE8BPRMT5HCRTR2KDM1AMETTL3

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-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 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-20100160344-A1 NOVEL COMPOUNDS BRD4, HDAC6, ENTPD5 KCNK3 1428/4885KCNK9 2711/4885PDE8B 227/4885

“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.