SCHEMBL4093804

SCHEMBL4093804

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(C)c(-c3cccc(CN4C[C@@H]5CC4CN5)c3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.43
CHRM3 P20309 2/20 0.40
NR3C1 P04150 1/20 0.32
MAPK1 P28482 1/20 0.32
MMP13 P45452 1/20 0.32
USP28 Q96RU2 1/20 0.31
USP25 Q9UHP3 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31

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
SCHEMBL4105815 1.00 PDE4B (0.43) PDE4BCHRM3NR3C1MAPK1MMP13
SCHEMBL4105807 1.00 PDE4B (0.43) PDE4BCHRM3NR3C1MAPK1MMP13
SCHEMBL4093801 1.00 PDE4B (0.43) PDE4BCHRM3NR3C1MAPK1MMP13
Hydrochloric Acid SCHEMBL4087817 0.99 PDE4B (0.43) PDE4BCHRM3NR3C1MAPK1MMP13
Hydrochloric Acid SCHEMBL4087811 0.99 PDE4B (0.43) PDE4BCHRM3NR3C1MAPK1MMP13
SCHEMBL1363605 0.95 CHRM3 (0.44) PDE4BCHRM3
SCHEMBL1363606 0.95 CHRM3 (0.44) PDE4BCHRM3
SCHEMBL4106919 0.94 PDE4B (0.47) PDE4BCHRM3NR3C1MAPK1MMP13
SCHEMBL12053634 0.94 PDE4B (0.47) PDE4BCHRM3NR3C1MAPK1MMP13
SCHEMBL4106910 0.94 PDE4B (0.47) PDE4BCHRM3NR3C1MAPK1MMP13

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-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US claimed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US claimed
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B PDE4B 3/4885CHRM3 8/4885NR3C1 416/4885

“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.