SCHEMBL869985

SCHEMBL869985

CN(C)C1(C(=O)N[C@H]2CC[C@@H](n3c(=O)c4cc(F)cnc4n(-c4cccc(-c5ccc(CN6CCN(CC(=O)N7CCOCC7)CC6)cc5)c4)c3=O)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.38
CYP11B2 P19099 1/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 2/20 0.35
ENPP2 Q13822 1/20 0.34
GAA P10253 1/20 0.34
KCNH2 Q12809 3/20 0.33
PDE4D Q08499 2/20 0.33
USP7 Q93009 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4228526 1.00 PDE4B (0.38) PDE4BCYP11B2CNR1CNR2ENPP2
SCHEMBL3029968 0.94 PDE4B (0.42) PDE4BCNR1CNR2KCNH2PDE4D
SCHEMBL870829 0.94 PDE4B (0.42) PDE4BCNR1CNR2KCNH2PDE4D
SCHEMBL3023064 0.90 PDE4B (0.37) PDE4BCNR2CYP3A4
SCHEMBL870468 0.90 PDE4B (0.37) PDE4BCNR2CYP3A4
SCHEMBL871058 0.89 PDE4B (0.39) PDE4BCNR2CYP3A4
SCHEMBL3029859 0.89 PDE4B (0.39) PDE4BCNR2CYP3A4
SCHEMBL871970 0.89 PDE4B (0.37) PDE4BCNR1CNR2CYP3A4
SCHEMBL870855 0.89 PDE4B (0.40) PDE4BCNR2CYP3A4
SCHEMBL4235029 0.89 PDE4B (0.37) PDE4BCNR1CNR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 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 (3 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CYP11B2 27/4885CNR1 2027/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CYP11B2 27/4885CNR1 2027/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885CYP11B2 65/4885CNR1 3560/4885

“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.