SCHEMBL4100618

SCHEMBL4100618

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(Cl)c(-c3cccc(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.42
CCNT1 O60563 1/20 0.36
TP53 P04637 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
MAPK1 P28482 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL4106607 0.94 PDE4B (0.42) PDE4BTP53RORC
SCHEMBL3431327 0.94 PDE4B (0.42) PDE4BCCNT1TP53LMNAMAPT
SCHEMBL3431250 0.93 PDE4B (0.42) PDE4BOPRK1RORC
SCHEMBL4360896 0.93 PDE4B (0.40) PDE4BCCNT1TP53LMNAMAPT
SCHEMBL4098183 0.91 PDE4B (0.46) PDE4BMAPK1RPS6KA1
SCHEMBL4095656 0.89 PDE4B (0.46) PDE4BMAPK1RPS6KA1
SCHEMBL4102650 0.88 PDE4B (0.45) PDE4BTP53LMNAMAPTMAPK1
SCHEMBL4346080 0.88 PDE4B (0.43) PDE4BCCNT1TP53LMNAMAPT
SCHEMBL4087649 0.87 PDE4B (0.43) PDE4BTP53
SCHEMBL4357221 0.87 PDE4B (0.40) PDE4BCCNT1TP53MAPK1

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-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 3/4885CCNT1 3991/4885TP53 4228/4885

“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.